⚠ 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 | |
|---|---|---|---|---|
| Quinazoline SCHEMBL5922743 | 0.78 | — | — | |
| SCHEMBL5050144 | 0.76 | — | — | |
| SCHEMBL16690908 | 0.76 | — | — | |
| SCHEMBL5050151 | 0.76 | — | — | |
| SCHEMBL7336241 | 0.71 | — | — | |
| SCHEMBL25092 | 0.69 | — | — | |
| SCHEMBL3070232 | 0.65 | — | — | |
| SCHEMBL2301093 | 0.64 | — | — | |
| SCHEMBL5934901 | 0.64 | — | — | |
| SCHEMBL18935458 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0698015-A1 | PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE | GENENTECH, INC. (US) | 1996-02-28 | — | — | EP | claimed |
| WO-2013184570-A2 | METHODS FOR THE SYNTHESIS OF 1,3-SUBSTITUTED AMINOURACILS AND OTHER XANTHINE-RELATED COMPOUNDS | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2013-12-12 | — | — | WO | disclosed |
| US-5834464-A | ANXIOLYTIC AGENTS, CHOLECYSTOKININ B ANTAGONISTS | MERCK & CO., INC. (US) | 1998-11-10 | — | — | US | disclosed |
| US-5807875-A | OBESITY THERAPY | DR. KARL THOMAE GMBH (DE) | 1998-09-15 | — | — | US | disclosed |
| EP-0698015-A1 | PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE | GENENTECH, INC. (US) | 1996-02-28 | — | — | EP | disclosed |
| WO-1995001970-A1 | ALCOHOL TO AZIDE SN2 CONVERSION | MERCK & CO., INC. (US) | 1995-01-19 | — | — | WO | disclosed |