⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22345988 | 0.85 | GABRA1 (0.38) | — | |
| SCHEMBL29418210 | 0.85 | GABRA1 (0.38) | — | |
| SCHEMBL28001965 | 0.72 | ROCK2 (0.42) | — | |
| SCHEMBL14808625 | 0.70 | — | — | |
| SCHEMBL17946313 | 0.70 | GABRA1 (0.32) | — | |
| SCHEMBL23581076 | 0.68 | ROCK2 (0.43) | — | |
| SCHEMBL28281082 | 0.66 | — | — | |
| SCHEMBL27926453 | 0.66 | GCGR (0.31) | — | |
| SCHEMBL30678392 | 0.65 | GABRA1 (0.38) | — | |
| SCHEMBL15473364 | 0.65 | GABRA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107721968-A | Indeno fused ring compound | 光学转变公司 | 2018-02-23 | — | — | CN | disclosed |