⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9151789 | 0.71 | — | — | |
| SCHEMBL9220348 | 0.71 | — | — | |
| SCHEMBL4974199 | 0.67 | — | — | |
| SCHEMBL8034307 | 0.67 | — | — | |
| SCHEMBL6810434 | 0.59 | — | — | |
| SCHEMBL9218674 | 0.57 | — | — | |
| SCHEMBL6524054 | 0.57 | — | — | |
| SCHEMBL18938665 | 0.57 | — | — | |
| SCHEMBL6810103 | 0.56 | — | — | |
| SCHEMBL22511360 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0478974-B1 | N-Heteroaryl-2-nitroanilines | BASF AG (DE) | 1995-12-27 | — | — | EP | disclosed |
| US-5298515-A | N-hetaryl-2-nitroanilines | BASF AKTIENGESELLSCHAFT (DE) | 1994-03-29 | — | — | US | disclosed |
| EP-0478974-A1 | N-Heteroaryl-2-nitroanilines | BASF Aktiengesellschaft (DE) | 1992-04-08 | — | — | EP | disclosed |