⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL678057 | 0.84 | — | — | |
| SCHEMBL7509688 | 0.83 | — | — | |
| SCHEMBL6288800 | 0.75 | — | — | |
| SCHEMBL6286428 | 0.70 | — | — | |
| SCHEMBL6280846 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL7505658 | 0.69 | HSD11B1 (0.34) | — | |
| SCHEMBL6287485 | 0.67 | SCN9A (0.31) | — | |
| SCHEMBL7506245 | 0.67 | KDM4E (0.36) | — | |
| SCHEMBL7515965 | 0.66 | SCN9A (0.37) | — | |
| SCHEMBL1554186 | 0.66 | ESR1 (0.35) | — |
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-6482774-B1 | Substituted (4-brompyrazole-3-yl) benzazoles | BASF AKTIENGESELLSCHAFT (DE) | 2002-11-19 | — | — | US | disclosed |
| EP-1076660-B1 | SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES | BASF AG (DE) | 2002-06-26 | — | — | EP | disclosed |
| CN-1302298-A | Substituted (4-brompyrazole-3-yl) indole | BASF AG (DE) | 2001-07-04 | — | — | CN | disclosed |