⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2161648 | 0.60 | PNMT (0.34) | — | |
| SCHEMBL15321365 | 0.60 | PNMT (0.36) | — | |
| SCHEMBL1157652 | 0.60 | RXFP1 (0.51) | — | |
| SCHEMBL7537318 | 0.57 | EHMT2 (0.52) | — | |
| Sulfuric Acid SCHEMBL31518346 | 0.55 | PNMT (0.50) | — | |
| SCHEMBL22686230 | 0.54 | — | — | |
| SCHEMBL28889640 | 0.54 | HSD17B10 (0.39) | — | |
| SCHEMBL8705730 | 0.52 | ALDH1A1 (0.59) | — | |
| SCHEMBL28842074 | 0.52 | CA1 (0.53) | — | |
| SCHEMBL18013213 | 0.52 | ASIC3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1255739-A1 | 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001053273-A1 | 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2001-07-26 | — | — | WO | disclosed |