⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2187236 | 0.79 | CARM1 (0.41) | — | |
| SCHEMBL1394055 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL2189098 | 0.77 | HRH3 (0.44) | — | |
| SCHEMBL22212573 | 0.77 | RAB9A (0.39) | — | |
| SCHEMBL2188091 | 0.77 | HRH3 (0.44) | — | |
| SCHEMBL5239083 | 0.77 | — | — | |
| SCHEMBL4123669 | 0.76 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL18457919 | 0.76 | ALOX15 (0.35) | — | |
| SCHEMBL13116989 | 0.74 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL6663979 | 0.74 | GRM4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5723648-A | Intermediates for anti-microbial benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0287951-A2 | 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-10-26 | — | — | EP | disclosed |