⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27545401 | 0.81 | CYP3A4 (0.38) | — | |
| SCHEMBL18683387 | 0.78 | — | — | |
| SCHEMBL28176113 | 0.78 | — | — | |
| SCHEMBL9763476 | 0.78 | CYP19A1 (0.30) | — | |
| SCHEMBL11584695 | 0.78 | GAA (0.33) | — | |
| SCHEMBL31181343 | 0.78 | — | — | |
| SCHEMBL29389386 | 0.75 | — | — | |
| SCHEMBL4953742 | 0.74 | — | — | |
| SCHEMBL8813249 | 0.74 | — | — | |
| SCHEMBL6689289 | 0.74 | — | — |
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-117783200-A | Method for judging influence of mixed acid on thermal stability of dinitrotoluene | 万华化学集团股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| US-5917023-A | Reductive coupling of nitrobenzene or nitrobenzenes substituted on the nucleus to give the corresponding azobenzenes and azoxybenzenes by means of redox catalysts | BASF AKTIENGESELLSHCAFT (DE) | 1999-06-29 | — | — | US | disclosed |
| CN-1174831-A | Reductive coupling of nitrobenzene or nitrobenzenes substituted on nucleus to give corresponding azobenzenes and azoxybenzenes by means of redox catalysts | BASF AG (DE) | 1998-03-04 | — | — | CN | disclosed |
| US-5410085-A | Process for the preparation of chlorine-substituted aromatic amines and of catalysts | BAYER AKTIENGESELLSCHAFT (DE) | 1995-04-25 | — | — | US | disclosed |