⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL577440 | 0.75 | — | — | |
| SCHEMBL28136485 | 0.74 | — | — | |
| SCHEMBL4864404 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL12821847 | 0.71 | — | — | |
| SCHEMBL4561052 | 0.71 | — | — | |
| SCHEMBL1680475 | 0.70 | — | — | |
| SCHEMBL1680480 | 0.70 | — | — | |
| SCHEMBL461534 | 0.70 | — | — | |
| SCHEMBL269126 | 0.70 | — | — | |
| SCHEMBL29857 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113473985-A | Cyclopentanoic acid as LPA antagonist | 百时美施贵宝公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-107709322-A | Tricyclic compound as anticancer | 百时美施贵宝公司 | 2018-02-16 | — | — | CN | disclosed |