Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitromethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11079973 | 0.85 | — | — | |
| Nitromethane SCHEMBL10735049 | 0.83 | — | — | |
| Acetic Acid SCHEMBL28975648 | 0.81 | — | — | |
| Acetone SCHEMBL22579069 | 0.80 | LMNA (0.50) | CA5ACA5BCA1MEN1KMT2A | |
| Acetone SCHEMBL4838152 | 0.80 | — | — | |
| Nitromethane SCHEMBL28277582 | 0.79 | — | — | |
| Nitromethane SCHEMBL2786748 | 0.79 | — | — | |
| Benzene SCHEMBL5088869 | 0.79 | FFAR3 (0.47) | CA5ACA5BCA1MEN1KMT2A | |
| Nitromethane SCHEMBL525 | 0.78 | — | — | |
| Nitromethane SCHEMBL29707679 | 0.78 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6586135-B2 | Dicarbonate compound such as dibenzyl dicarbonate mixed with either the anode material or the cathode active material prior to contact with its current collector | WILSON GREATBACH LTD. | 2003-07-01 | — | — | US | claimed |
| EP-0951085-B1 | Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells | GREATBATCH W LTD (US) | 2003-01-29 | — | — | EP | claimed |
| US-20020136949-A1 | Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture | GREATBATCH, INC. | 2002-09-26 | — | — | US | claimed |
| EP-1244159-A1 | Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture | WILSON GREATBATCH LTD. (US) | 2002-09-25 | — | — | EP | claimed |
| US-6174629-B1 | ADDITION OF AT LEAST ONE DICARBONATE ADDITIVE TO AN ELECTROLYTE COMPRISING AN ALKALI METAL SALT DISSOLVED IN A SOLVENT MIXTURE THAT INCLUDES ETHYLENE CARBONATE, DIMETHYL CARBONATE, ETHYL METHYL CARBONATE AND DIETHYL CARBONATE | WILSON GREATBATCH LTD. | 2001-01-16 | — | — | US | claimed |
| EP-1005098-A2 | Alkali metal electrochemical cell having an improved cathode activated with a nonaqueous electrolyte having a passivation inhibitor additive | WILSON GREATBATCH LTD. (US) | 2000-05-31 | — | — | EP | claimed |
| US-6063526-A | AN ALKALI METAL, SOLID CATHODE, NONAQUEOUS ELECTROCHEMICAL CELL CAPABLE OF DELIVERING HIGH CURRENT PULSES, RAPIDLY RECOVERING ITS OPEN CIRCUIT VOLTAGE AND HAVING HIGH CURRENT CAPACITY; USE IN MEDICAL DEVICES SUCH AS DEFIBRILLATORS | WILSON GREATBATCH LTD. (US) | 2000-05-16 | — | — | US | claimed |
| EP-0951085-A1 | Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells | WILSON GREATBATCH LTD. (US) | 1999-10-20 | — | — | EP | claimed |
| US-6586135-B2 | Dicarbonate compound such as dibenzyl dicarbonate mixed with either the anode material or the cathode active material prior to contact with its current collector | WILSON GREATBACH LTD. | 2003-07-01 | — | — | US | disclosed |
| EP-0951085-B1 | Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells | GREATBATCH W LTD (US) | 2003-01-29 | — | — | EP | disclosed |
| US-20020136949-A1 | Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture | GREATBATCH, INC. | 2002-09-26 | — | — | US | disclosed |
| EP-1244159-A1 | Electrochemical cell having an electrode with a dicarbonate additive in the electrode active mixture | WILSON GREATBATCH LTD. (US) | 2002-09-25 | — | — | EP | disclosed |
| US-6221534-B1 | CATHODE IS INORGANIC REACTION PRODUCT CONTAINING VANADIUM OXIDE AND SILVER OXIDE | WILSON GREATBATCH LTD. | 2001-04-24 | — | — | US | disclosed |
| US-6174629-B1 | ADDITION OF AT LEAST ONE DICARBONATE ADDITIVE TO AN ELECTROLYTE COMPRISING AN ALKALI METAL SALT DISSOLVED IN A SOLVENT MIXTURE THAT INCLUDES ETHYLENE CARBONATE, DIMETHYL CARBONATE, ETHYL METHYL CARBONATE AND DIETHYL CARBONATE | WILSON GREATBATCH LTD. | 2001-01-16 | — | — | US | disclosed |
| EP-1005098-A2 | Alkali metal electrochemical cell having an improved cathode activated with a nonaqueous electrolyte having a passivation inhibitor additive | WILSON GREATBATCH LTD. (US) | 2000-05-31 | — | — | EP | disclosed |
| US-6063526-A | AN ALKALI METAL, SOLID CATHODE, NONAQUEOUS ELECTROCHEMICAL CELL CAPABLE OF DELIVERING HIGH CURRENT PULSES, RAPIDLY RECOVERING ITS OPEN CIRCUIT VOLTAGE AND HAVING HIGH CURRENT CAPACITY; USE IN MEDICAL DEVICES SUCH AS DEFIBRILLATORS | WILSON GREATBATCH LTD. (US) | 2000-05-16 | — | — | US | disclosed |
| EP-0951085-A1 | Dicarbonate additives for non-aqueous electrolyte in alkali metal electrochemical cells | WILSON GREATBATCH LTD. (US) | 1999-10-20 | — | — | EP | disclosed |