⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8991007 | 0.88 | — | — | |
| SCHEMBL8991174 | 0.85 | CYP19A1 (0.30) | — | |
| SCHEMBL8991380 | 0.83 | KDM1A (0.35) | — | |
| SCHEMBL7498327 | 0.81 | OPRM1 (0.35) | — | |
| SCHEMBL8991315 | 0.80 | CRBN (0.32) | — | |
| SCHEMBL8991217 | 0.79 | POLB (0.32) | — | |
| SCHEMBL8991475 | 0.74 | CYP19A1 (0.39) | — | |
| SCHEMBL7499785 | 0.68 | OPRM1 (0.36) | — | |
| SCHEMBL8991195 | 0.67 | — | — | |
| SCHEMBL7497849 | 0.66 | KDM1A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5504106-A | Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors | G. D. SEARLE & CO. (US) | 1996-04-02 | — | — | US | claimed |
| US-5504106-A | Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors | G. D. SEARLE & CO. (US) | 1996-04-02 | — | — | US | disclosed |