⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40541 | 0.72 | — | — | |
| SCHEMBL7612415 | 0.67 | — | — | |
| SCHEMBL15625299 | 0.62 | — | — | |
| SCHEMBL14458378 | 0.62 | — | — | |
| SCHEMBL863642 | 0.62 | — | — | |
| Ethyne SCHEMBL15388778 | 0.62 | — | — | |
| Formamide SCHEMBL13898558 | 0.62 | — | — | |
| Benzene SCHEMBL23300602 | 0.59 | — | — | |
| Formamide SCHEMBL11525862 | 0.59 | — | — | |
| SCHEMBL1042994 | 0.53 | — | — |
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 1 patent. 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 |