⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31230986 | 1.00 | — | — | |
| SCHEMBL31230985 | 0.69 | EGFR (0.34) | — | |
| SCHEMBL25364239 | 0.69 | EGFR (0.34) | — | |
| SCHEMBL31231083 | 0.66 | — | — | |
| SCHEMBL25365269 | 0.66 | — | — | |
| SCHEMBL25689257 | 0.64 | TRPV4 (0.35) | — | |
| SCHEMBL25368164 | 0.63 | — | — | |
| SCHEMBL31231017 | 0.63 | — | — | |
| SCHEMBL25366255 | 0.62 | PARP1 (0.36) | — | |
| SCHEMBL25365811 | 0.61 | ADORA2A (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023155927-A1 | INHIBITOR OF INTERACTION BETWEEN YAP/TAZ AND TEAD, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海奕拓医药科技有限责任公司 | 2023-08-24 | — | — | WO | disclosed |