⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13033011 | 1.00 | — | — | |
| SCHEMBL29300001 | 1.00 | — | — | |
| SCHEMBL14445027 | 1.00 | — | — | |
| SCHEMBL14739002 | 0.79 | — | — | |
| SCHEMBL14738471 | 0.79 | — | — | |
| SCHEMBL14738042 | 0.79 | — | — | |
| SCHEMBL3223608 | 0.77 | TRPM8 (0.50) | — | |
| SCHEMBL20651084 | 0.77 | TRPM8 (0.45) | — | |
| SCHEMBL1828151 | 0.77 | TRPM8 (0.50) | — | |
| SCHEMBL10034389 | 0.77 | TRPM8 (0.50) | — |
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-11584738-B2 | LPA receptor antagonists and uses thereof | GILEAD SCIENCES, INC. (US) | 2023-02-21 | — | — | US | disclosed |
| US-20100317643-A1 | JANUS KINASE INHIBITOR COMPOUNDS AND METHODS | GENENTECH, INC. (US) | 2010-12-16 | — | — | US | disclosed |