⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12035136 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27609045 | 0.98 | TRPV1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL27938380 | 0.98 | TRPV1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL27935513 | 0.98 | TRPV1 (0.39) | — | |
| SCHEMBL13918751 | 0.83 | TRPV1 (0.44) | — | |
| SCHEMBL13918752 | 0.83 | TRPV1 (0.44) | — | |
| SCHEMBL27604842 | 0.83 | L3MBTL1 (0.52) | — | |
| SCHEMBL27859272 | 0.83 | L3MBTL1 (0.52) | — | |
| SCHEMBL23583172 | 0.79 | — | — | |
| SCHEMBL21285287 | 0.79 | — | — |
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 2 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 |
| 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 |