⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22421781 | 0.80 | EPHX1 (0.34) | — | |
| SCHEMBL23466099 | 0.77 | SLC22A1 (0.34) | — | |
| SCHEMBL20997551 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL26821741 | 0.73 | GNAI3 (0.31) | — | |
| SCHEMBL26633152 | 0.72 | — | — | |
| SCHEMBL22255130 | 0.71 | SLC22A1 (0.40) | — | |
| SCHEMBL6647988 | 0.70 | — | — | |
| SCHEMBL28035769 | 0.70 | S1PR1 (0.41) | — | |
| SCHEMBL23512797 | 0.70 | CYP2D6 (0.40) | — | |
| SCHEMBL19808331 | 0.69 | CHRM5 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1392677-A2 | CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS | Wockhardt Limited (IN) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002085886-A2 | CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS | WOCKHARDT LIMITED (IN) | 2002-10-31 | — | — | WO | disclosed |