⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7551121 | 0.72 | — | — | |
| SCHEMBL24856 | 0.67 | — | — | |
| SCHEMBL35239 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL4637693 | 0.65 | — | — | |
| SCHEMBL15400759 | 0.64 | ALDH1A1 (0.40) | — | |
| Phosphine SCHEMBL21380516 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL10703282 | 0.64 | ALDH1A1 (0.40) | — | |
| Water SCHEMBL20597605 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL20101 | 0.64 | — | — | |
| SCHEMBL6577079 | 0.64 | ALDH1A1 (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923933-B1 | Substituted pyrazolyl benzenesulfonamides for use in the treatment of inflammation | SEARLE & CO (US) | 2002-07-03 | — | — | EP | claimed |
| US-7915418-B2 | Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-03-29 | — | — | US | disclosed |
| US-20060135775-A1 | Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-06-22 | — | — | US | disclosed |
| EP-1632482-A1 | INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE QUINOLONECARBOXYLIC ACID DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-03-08 | — | — | EP | disclosed |
| US-5693847-A | Heteroatom functionalized α-methyl ketones | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-12-02 | — | — | US | disclosed |