⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5635166 | 0.68 | CYP11B1 (0.40) | — | |
| SCHEMBL4011760 | 0.66 | NR3C1 (0.38) | — | |
| SCHEMBL4008930 | 0.66 | SCN9A (0.36) | — | |
| SCHEMBL4008236 | 0.64 | NR3C1 (0.38) | — | |
| SCHEMBL30066459 | 0.60 | MAPK14 (0.42) | — | |
| SCHEMBL30066339 | 0.55 | KDM4E (0.39) | — | |
| SCHEMBL28778027 | 0.55 | IRAK4 (0.40) | — | |
| SCHEMBL516901 | 0.53 | CA2 (0.67) | — | |
| SCHEMBL29560278 | 0.53 | CA2 (0.67) | — | |
| SCHEMBL27751392 | 0.52 | BACE1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7473701-B2 | Substituted indazoles, compositions containing them, method of production and use | AVENTIS PHARMA S.A. (FR) | 2009-01-06 | — | — | US | claimed |