⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL69943 | 0.96 | — | — | |
| Propene SCHEMBL28435655 | 0.82 | — | — | |
| SCHEMBL21359945 | 0.80 | — | — | |
| Boric Acid SCHEMBL27915700 | 0.79 | — | — | |
| SCHEMBL6654050 | 0.78 | — | — | |
| SCHEMBL982533 | 0.74 | — | — | |
| SCHEMBL12675479 | 0.74 | — | — | |
| SCHEMBL6330185 | 0.72 | — | — | |
| SCHEMBL27650885 | 0.72 | — | — | |
| Water SCHEMBL29050203 | 0.71 | — | — |
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 |