⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11881705 | 0.67 | — | — | |
| SCHEMBL5607760 | 0.65 | — | — | |
| SCHEMBL314963 | 0.65 | — | — | |
| SCHEMBL12495114 | 0.64 | — | — | |
| SCHEMBL3290525 | 0.60 | — | — | |
| SCHEMBL7358244 | 0.59 | MAPT (0.40) | — | |
| SCHEMBL9629937 | 0.59 | — | — | |
| SCHEMBL14660620 | 0.59 | HTR3A (0.37) | — | |
| SCHEMBL9446205 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL22556288 | 0.59 | — | — |
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 |