⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5981780 | 0.76 | BAZ2B (0.33) | — | |
| SCHEMBL472918 | 0.70 | — | — | |
| SCHEMBL3291481 | 0.68 | — | — | |
| SCHEMBL12157374 | 0.65 | — | — | |
| SCHEMBL5576943 | 0.65 | — | — | |
| SCHEMBL3265464 | 0.65 | — | — | |
| SCHEMBL3385577 | 0.65 | — | — | |
| SCHEMBL3649568 | 0.64 | POLB (0.33) | — | |
| SCHEMBL10713168 | 0.64 | — | — | |
| SCHEMBL1200617 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0207845-A1 | Bactericides containing 4-oxopyridocarboxylic acid derivatives and process for their preparation | S.A. PANMEDICA Société dite: (FR) | 1987-01-07 | — | — | EP | disclosed |
| US-4105778-A | ANTIALLERGENS, BACTERICIDES, FUNGICIDES | AYERST, MCKENNA & HARRISON, LTD. (CA) | 1978-08-08 | — | — | US | disclosed |
| US-4060619-A | ANTIALLERGY, MICROBIOCIDE | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-11-29 | — | — | US | disclosed |