⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7401298 | 0.76 | PPARA (0.32) | — | |
| SCHEMBL7399372 | 0.66 | PRKCA (0.37) | — | |
| SCHEMBL8991282 | 0.64 | — | — | |
| SCHEMBL8991007 | 0.63 | — | — | |
| SCHEMBL8991475 | 0.62 | CYP19A1 (0.39) | — | |
| SCHEMBL6288860 | 0.58 | OPRM1 (0.42) | — | |
| SCHEMBL8523438 | 0.57 | PTGDR2 (0.36) | — | |
| SCHEMBL14401373 | 0.56 | SMN1; SMN2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL7969677 | 0.56 | AKR1B1 (0.35) | — | |
| SCHEMBL11508814 | 0.55 | GRIN2D (0.61) | — |
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-5504106-A | Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors | G. D. SEARLE & CO. (US) | 1996-04-02 | — | — | US | disclosed |