Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL1739740 | 0.88 | — | — | |
| Sulfuric Acid SCHEMBL28377701 | 0.85 | CA5A (0.46) | — | |
| Sulfuric Acid SCHEMBL2218163 | 0.85 | — | — | |
| SCHEMBL4460080 | 0.85 | — | — | |
| Sulfuric Acid SCHEMBL28843933 | 0.85 | — | — | |
| Propane SCHEMBL27436764 | 0.84 | — | — | |
| SCHEMBL1043227 | 0.80 | CA2 (0.44) | — | |
| Alcohol SCHEMBL20295436 | 0.80 | TSHR (0.50) | — | |
| Butane SCHEMBL8098393 | 0.80 | — | — | |
| Butane SCHEMBL27419033 | 0.80 | CA2 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5298157-A | Mixing with acid and base; haet of reaction of hard acid with dimethylsulfide and base with boron trifluoride; extraction | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1994-03-29 | — | — | US | disclosed |
| US-5296133-A | Extracting depolymerized coal with polar solvent to remove hard acid, soft base, minerals, mixing with swelling solvent so coal floats, minerals sink, separating | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1994-03-22 | — | — | US | disclosed |
| US-5294349-A | Depolymerizing with a hard acid and soft base; catalytic hydrogenation using a precursor of a dihydrocarbyl metal dithiocarbamate | EXXON RESEARCH AND ENGINNERING COMPANY (US) | 1994-03-15 | — | — | US | disclosed |