⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24867906 | 0.75 | — | — | |
| SCHEMBL21322092 | 0.68 | PIK3CD (0.32) | — | |
| SCHEMBL13060360 | 0.68 | VNN1 (0.35) | — | |
| SCHEMBL2397427 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL23075938 | 0.65 | — | — | |
| SCHEMBL18155874 | 0.65 | OPRM1 (0.32) | — | |
| SCHEMBL26765864 | 0.65 | OPRD1 (0.37) | — | |
| SCHEMBL18199663 | 0.65 | OPRM1 (0.32) | — | |
| SCHEMBL23077823 | 0.65 | — | — | |
| SCHEMBL24597150 | 0.65 | SMN1; SMN2 (0.48) | — |
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 |