⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2606455 | 0.71 | — | — | |
| SCHEMBL1704470 | 0.68 | — | — | |
| SCHEMBL20047858 | 0.67 | — | — | |
| SCHEMBL21883422 | 0.63 | — | — | |
| SCHEMBL20387843 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL5657101 | 0.61 | — | — | |
| SCHEMBL24050971 | 0.61 | — | — | |
| SCHEMBL18689868 | 0.61 | — | — | |
| SCHEMBL19750969 | 0.61 | — | — | |
| SCHEMBL21374515 | 0.60 | — | — |
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-10662172-B2 | Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-05-26 | — | — | US | disclosed |
| US-20190185446-A1 | TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2019-06-20 | — | — | US | disclosed |