⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23579508 | 0.86 | KDM4E (0.33) | — | |
| SCHEMBL22414460 | 0.81 | — | — | |
| SCHEMBL8274673 | 0.80 | — | — | |
| SCHEMBL31566527 | 0.78 | — | — | |
| SCHEMBL9175623 | 0.78 | — | — | |
| SCHEMBL31566566 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL31566984 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL12194061 | 0.75 | — | — | |
| SCHEMBL31566862 | 0.75 | — | — | |
| SCHEMBL31566679 | 0.75 | — | — |
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 6 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 |
| EP-0401623-B1 | Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids | BAYER AG (DE) | 2000-01-26 | — | — | EP | disclosed |
| US-5723627-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-03-03 | — | — | US | disclosed |
| US-5648493-A | MULTISTAGE PROCESS BY CONDENSING AN OXO COMPOUND WITH AN AMINO COMPOUND TO PRODUCE AN IMINE THEN REACTING WITH AN OXO QUINOLINE CARBOXYLIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-15 | — | — | US | disclosed |
| US-5061712-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-29 | — | — | US | disclosed |
| EP-0401623-A1 | Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids | BAYER AG (DE) | 1990-12-12 | — | — | EP | disclosed |