⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19865214 | 0.83 | — | — | |
| SCHEMBL4495310 | 0.72 | CYP1A2 (0.44) | — | |
| SCHEMBL193881 | 0.68 | — | — | |
| SCHEMBL2135859 | 0.67 | CYP1A2 (0.36) | — | |
| SCHEMBL15490513 | 0.66 | DPP4 (0.33) | — | |
| SCHEMBL19019764 | 0.63 | CYP1A2 (0.37) | — | |
| SCHEMBL19019762 | 0.63 | CYP1A2 (0.37) | — | |
| SCHEMBL575166 | 0.63 | — | — | |
| SCHEMBL5142805 | 0.62 | CYP1A2 (0.37) | — | |
| SCHEMBL22887232 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240239761-A1 | BICYCLIC PHENOL COMPOUNDS AND USE THEREOF | MEDSHINE DISCOVERY INC. (CN) | 2024-07-18 | — | — | US | disclosed |
| US-20240239761-A1 | BICYCLIC PHENOL COMPOUNDS AND USE THEREOF | MEDSHINE DISCOVERY INC. (CN) | 2024-07-18 | — | — | US | disclosed |