⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25819841 | 0.80 | CYP3A4 (0.31) | — | |
| SCHEMBL25819840 | 0.64 | ESR1 (0.30) | — | |
| SCHEMBL15490066 | 0.60 | ESR1 (0.34) | — | |
| SCHEMBL4719503 | 0.57 | ERN1 (0.36) | — | |
| SCHEMBL12475856 | 0.56 | ESR1 (0.32) | — | |
| SCHEMBL21386089 | 0.54 | NFE2L2 (0.35) | — | |
| SCHEMBL25808199 | 0.54 | RAPGEF4 (0.34) | — | |
| SCHEMBL1757703 | 0.54 | CA1 (0.39) | — | |
| SCHEMBL13179007 | 0.53 | ERN1 (0.30) | — | |
| SCHEMBL18829120 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023125182-A1 | PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF | 海思科医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |