⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8295540 | 0.93 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL19410087 | 0.89 | ALDH1A1 (0.51) | — | |
| SCHEMBL4145907 | 0.89 | ALDH1A1 (0.56) | — | |
| SCHEMBL4623391 | 0.86 | PIK3CD (0.42) | — | |
| SCHEMBL4623801 | 0.84 | KMT2A (0.47) | — | |
| Hydrochloric Acid SCHEMBL4877549 | 0.84 | PIK3CD (0.41) | — | |
| Hydrochloric Acid SCHEMBL4880426 | 0.82 | POLB (0.48) | — | |
| Hydrochloric Acid SCHEMBL3649783 | 0.80 | DPP4 (0.50) | — | |
| Hydrochloric Acid SCHEMBL15808506 | 0.78 | SLC6A4 (0.43) | — | |
| SCHEMBL14712982 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807686-B2 | 2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists | N.V. ORGANON (NL) | 2010-10-05 | — | — | US | disclosed |
| EP-2190838-A1 | CANNABINOID RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009024819-A1 | CANNABINOID RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | WO | disclosed |
| US-20080214553-A1 | 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists | MERCK SHARP & DOHME B.V. (NL) | 2008-09-04 | — | — | US | disclosed |
| CN-1170823-C | [ 5-chloro-6-phenyl-2- (4-trifluoromethylphenyl) -4-pyrimidinylamino ] acetamide derivatives, process for preparing the same, pharmaceutical compositions containing the same and intermediates for preparing the same | 大日本制药株式会社 | 2004-10-13 | — | — | CN | disclosed |
| US-6620817-B1 | Antiinflammatory, antiarthritic agents; autoimmune and rheumatic diseases | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| CN-1390207-A | [ 5-chloro-6-phenyl-2- (4-trifluoromethylphenyl) -4-pyrimidinylamino ] acetamide derivatives, processes for preparing the same, pharmaceutical compositions containing the same and intermediates for these compounds | DAINIPPON PHARMACEUTICAL CO (JP) | 2003-01-08 | — | — | CN | disclosed |
| EP-1236721-A1 | 5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS | Dainippon Pharmaceutical Co., Ltd. (JP) | 2002-09-04 | — | — | EP | disclosed |