⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24798328 | 0.78 | — | — | |
| SCHEMBL1269842 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL1269840 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL21745533 | 0.73 | SIGMAR1 (0.32) | — | |
| SCHEMBL21746148 | 0.70 | CTSK (0.33) | — | |
| SCHEMBL21391054 | 0.70 | — | — | |
| SCHEMBL27413778 | 0.70 | CTSK (0.37) | — | |
| SCHEMBL10891915 | 0.67 | CES2 (0.35) | — | |
| SCHEMBL26046288 | 0.66 | NOS2 (0.37) | — | |
| SCHEMBL18517622 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3728223-B1 | CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2022-12-28 | — | — | EP | disclosed |