⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193336 | 0.87 | — | — | |
| SCHEMBL14545648 | 0.75 | — | — | |
| SCHEMBL550429 | 0.75 | — | — | |
| SCHEMBL14523283 | 0.72 | — | — | |
| SCHEMBL21067980 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3981069 | 0.72 | CYP2C9 (0.39) | — | |
| SCHEMBL34529 | 0.72 | — | — | |
| SCHEMBL550510 | 0.72 | CYP2C9 (0.39) | — | |
| SCHEMBL2290579 | 0.72 | — | — | |
| SCHEMBL55889 | 0.72 | — | — |
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-4775668-A | Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof | PFIZER INC. (US) | 1988-10-04 | — | — | US | claimed |