⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25897425 | 0.87 | — | — | |
| SCHEMBL24868167 | 0.75 | — | — | |
| SCHEMBL27405690 | 0.74 | OPRM1 (0.31) | — | |
| SCHEMBL23075812 | 0.72 | — | — | |
| SCHEMBL21486173 | 0.71 | — | — | |
| SCHEMBL21625294 | 0.67 | — | — | |
| SCHEMBL26017859 | 0.66 | OPRM1 (0.31) | — | |
| SCHEMBL15448653 | 0.64 | OPRM1 (0.36) | — | |
| SCHEMBL23514873 | 0.64 | OPRM1 (0.38) | — | |
| SCHEMBL2397427 | 0.64 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230012262-A1 | LPA RECEPTOR ANTAGONISTS AND USES THEREOF | GILEAD SCIENCES, INC. | 2023-01-12 | — | — | US | disclosed |