⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23224 | 0.76 | — | — | |
| Trichloroethane SCHEMBL12816835 | 0.72 | TSHR (0.55) | — | |
| Hydrochloric Acid SCHEMBL3362611 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL28590397 | 0.72 | ALDH1A1 (0.31) | — | |
| Fluoride SCHEMBL6858466 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL839562 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL4238474 | 0.69 | — | — | |
| SCHEMBL140789 | 0.66 | — | — | |
| SCHEMBL949352 | 0.66 | — | — | |
| SCHEMBL1686629 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0620218-B1 | 2, 3-Dihydro-4(1H)-quinazolinones active in gastro-intestinal pathologies | ALFA WASSERMANN SPA (IT) | 1997-10-01 | — | — | EP | disclosed |
| US-5446152-A | Antiemetic agent | ALFA WASSERMANN S.P.A. (IT) | 1995-08-29 | — | — | US | disclosed |
| EP-0620218-A1 | Heterocyclic compounds active in gastro-intestinal pathologies | ALFA WASSERMANN S.p.A. (IT) | 1994-10-19 | — | — | EP | disclosed |
| US-4064339-A | Antibiotic aminoglycosides, processes of preparation and pharmaceutical compositions | ROUSSEL UCLAF (FR) | 1977-12-20 | — | — | US | disclosed |