⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2386768 | 0.75 | — | — | |
| SCHEMBL6225033 | 0.72 | — | — | |
| SCHEMBL16671217 | 0.72 | — | — | |
| SCHEMBL3077020 | 0.72 | — | — | |
| SCHEMBL787105 | 0.72 | — | — | |
| SCHEMBL3763923 | 0.72 | — | — | |
| SCHEMBL2161386 | 0.69 | — | — | |
| SCHEMBL28788187 | 0.69 | — | — | |
| SCHEMBL1098655 | 0.69 | — | — | |
| SCHEMBL28983346 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116669727-A | Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists | 唯久生物有限公司 | 2023-08-29 | — | — | CN | disclosed |