⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Nitromethane SCHEMBL525 | 1.00 | — | — | |
| Nitromethane SCHEMBL29707679 | 1.00 | — | — | |
| Nitromethane SCHEMBL10735049 | 0.94 | — | — | |
| Nitromethane SCHEMBL8204968 | 0.94 | — | — | |
| Nitromethane SCHEMBL8528126 | 0.94 | — | — | |
| Nitromethane SCHEMBL1980079 | 0.94 | — | — | |
| Nitromethane SCHEMBL3012923 | 0.94 | — | — | |
| Nitromethane SCHEMBL8771927 | 0.94 | — | — | |
| Nitromethane SCHEMBL17162023 | 0.94 | — | — | |
| Nitromethane SCHEMBL1890507 | 0.94 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109392949-A | Utilize the method for the nitrite manufacture disinfection solution in coal-ethylene glycol waste water | 黔西县黔希煤化工投资有限责任公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-102906408-B | Ammonia-burning internal combustion engine | TOYOTA MOTOR CORP. (JP) | 2015-10-21 | — | — | CN | disclosed |
| CN-1053558-C | Combined use of Chemicals and microbials in termite control | BAYER AG (US) | 2000-06-21 | — | — | CN | disclosed |
| CN-1080474-A | The combination in the control termite of chemicals and microorganism is used | MILES INC (US) | 1994-01-12 | — | — | CN | disclosed |