⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14341366 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL28639965 | 0.64 | HDAC4 (0.46) | — | |
| SCHEMBL29899286 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL15323009 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL28302332 | 0.59 | MKNK1 (0.30) | — | |
| SCHEMBL22395015 | 0.57 | GHSR (0.36) | — | |
| SCHEMBL27627779 | 0.56 | DDB1 (0.38) | — | |
| SCHEMBL29154166 | 0.56 | CYP1A2 (0.43) | — | |
| SCHEMBL22395063 | 0.56 | OPRM1 (0.38) | — | |
| SCHEMBL15326800 | 0.56 | — | — |
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-113473985-A | Cyclopentanoic acid as LPA antagonist | 百时美施贵宝公司 | 2021-10-01 | — | — | CN | disclosed |