⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27290472 | 0.80 | RAF1 (0.35) | — | |
| SCHEMBL27713808 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL27630680 | 0.74 | CA12 (0.44) | — | |
| SCHEMBL2735994 | 0.69 | — | — | |
| SCHEMBL2204963 | 0.67 | — | — | |
| SCHEMBL28233860 | 0.67 | — | — | |
| SCHEMBL28110007 | 0.67 | — | — | |
| SCHEMBL3261915 | 0.67 | — | — | |
| SCHEMBL25464990 | 0.65 | GABRA1 (0.33) | — | |
| SCHEMBL26085650 | 0.65 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1038509-C | Process for preparing 8-chloroquinolone derivatives | DAIICHI SEIYAKU CO (JP) | 1998-05-27 | — | — | CN | disclosed |
| CN-1033751-C | Optically active pyridonecarboxylic acid derivatives | DAIICHI SEIYAKU CO (JP) | 1997-01-08 | — | — | CN | disclosed |
| CN-1062906-A | The preparation method of 8-chloroquinolone derivatives | DAIICHI SEIYAKU CO (JP) | 1992-07-22 | — | — | CN | disclosed |
| CN-1037507-A | Optically active pyridone carboxylic acid derivatives | DAIICHI SEIYAKU CO (JP) | 1989-11-29 | — | — | CN | disclosed |