⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2347582 | 0.80 | — | — | |
| SCHEMBL8382915 | 0.79 | — | — | |
| SCHEMBL8344927 | 0.76 | — | — | |
| SCHEMBL5782878 | 0.75 | PRSS1 (0.30) | — | |
| SCHEMBL1634020 | 0.73 | — | — | |
| SCHEMBL10619344 | 0.71 | EHMT2 (0.37) | — | |
| SCHEMBL21486154 | 0.71 | CHRM1 (0.35) | — | |
| SCHEMBL17992996 | 0.71 | CHRM1 (0.35) | — | |
| SCHEMBL1597034 | 0.70 | — | — | |
| SCHEMBL10402069 | 0.70 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0397364-B1 | HETEROCYCLIC GUANIDINES AS 5HT 3 ANTAGONISTS | PFIZER INC. (US) | 1993-07-28 | — | — | EP | disclosed |
| EP-0397364-A1 | Heterocyclic guanidines AS 5HT 3 Antagonists | PFIZER INC. (US) | 1990-11-14 | — | — | EP | disclosed |
| US-4963689-A | ANTIEMETICS, ANALGESICS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA | PFIZER INC. (US) | 1990-10-16 | — | — | US | disclosed |
| US-4777175-A | (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1988-10-11 | — | — | US | disclosed |
| US-4771054-A | QUINOLINE CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1988-09-13 | — | — | US | disclosed |
| EP-0106489-B1 | ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1988-07-27 | — | — | EP | disclosed |
| US-4665079-A | QUINOLINE DERIVATIVES | WARNER-LAMBERT COMPANY (US) | 1987-05-12 | — | — | US | disclosed |
| US-4638067-A | NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS | WARNER-LAMBERT CO. (US) | 1987-01-20 | — | — | US | disclosed |
| EP-0153163-A2 | 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds | WARNER-LAMBERT COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |
| EP-0106489-A2 | Antibacterial agents | WARNER-LAMBERT COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |