⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13591702 | 0.79 | NOS3 (0.30) | — | |
| SCHEMBL19265041 | 0.68 | — | — | |
| SCHEMBL23906030 | 0.68 | ADORA2A (0.40) | — | |
| SCHEMBL1812394 | 0.65 | — | — | |
| SCHEMBL1812396 | 0.65 | KDM4E (0.35) | — | |
| SCHEMBL11225590 | 0.62 | — | — | |
| SCHEMBL2322583 | 0.59 | — | — | |
| SCHEMBL23839218 | 0.59 | — | — | |
| SCHEMBL23432304 | 0.58 | — | — | |
| SCHEMBL16189170 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3221304-B1 | NOVEL CARBOXYLIC ACID COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 | LILLY CO ELI (US) | 2019-07-24 | — | — | EP | disclosed |