⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30240062 | 0.76 | — | — | |
| Propylamine SCHEMBL27748458 | 0.64 | EPHX1 (0.38) | — | |
| Propane SCHEMBL3777305 | 0.64 | CHRM2 (0.40) | — | |
| Ethylamine SCHEMBL5429661 | 0.63 | — | — | |
| Propane SCHEMBL29260697 | 0.62 | — | — | |
| SCHEMBL170737 | 0.62 | — | — | |
| SCHEMBL12840 | 0.62 | — | — | |
| Fluoride SCHEMBL10649196 | 0.62 | — | — | |
| SCHEMBL226122 | 0.62 | — | — | |
| SCHEMBL178378 | 0.62 | — | — |
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-2025133248-A1 | DIASTEREOMERIC AMINOALCOHOL AND AMINOETHER SALTS OF 2-[(4R,S)-8-FLUORO-2-[4-(3-METHOXYPHENYL)PIPERAZIN-1-YL]-3-[2-METHOXY-5-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-YL]ACETIC ACID AND THEIR USE FOR ENANTIOMERIC SEPARATION | AIC246 AG & CO. KG (DE) | 2025-06-26 | — | — | WO | disclosed |