⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4713435 | 0.81 | — | — | |
| SCHEMBL5454102 | 0.76 | KCNH2 (0.38) | — | |
| SCHEMBL7093709 | 0.75 | CACNA1F (0.32) | — | |
| SCHEMBL4516904 | 0.73 | KCNH2 (0.35) | — | |
| SCHEMBL4717107 | 0.73 | KCNH2 (0.35) | — | |
| SCHEMBL7097311 | 0.73 | — | — | |
| SCHEMBL5465262 | 0.72 | KCNH2 (0.36) | — | |
| SCHEMBL6669561 | 0.72 | KCNH2 (0.32) | — | |
| SCHEMBL6669512 | 0.72 | — | — | |
| SCHEMBL7093708 | 0.71 | KCNH2 (0.39) | — |
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-7582627-B2 | 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase | WARNER-LAMBERT COMPANY (US) | 2009-09-01 | — | — | US | disclosed |
| US-20060287308-A1 | 3-Aminoquinazolin-2,4-dione antibacterial agents | ZOETIS WLC LLC | 2006-12-21 | — | — | US | disclosed |