⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17221840 | 0.71 | — | — | |
| SCHEMBL17221781 | 0.68 | — | — | |
| SCHEMBL480158 | 0.63 | — | — | |
| SCHEMBL9723494 | 0.63 | — | — | |
| SCHEMBL363105 | 0.59 | — | — | |
| SCHEMBL28787372 | 0.57 | — | — | |
| SCHEMBL2962026 | 0.57 | TSHR (0.31) | — | |
| SCHEMBL1681348 | 0.56 | — | — | |
| SCHEMBL27882809 | 0.56 | — | — | |
| SCHEMBL27882569 | 0.54 | — | — |
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-108349949-A | N- substituted indole derivatives as PGE2 receptor modulators | 爱杜西亚药品有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-102356068-A | 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2012-02-15 | — | — | CN | disclosed |