⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3098043 | 0.73 | — | — | |
| SCHEMBL9202131 | 0.70 | — | — | |
| SCHEMBL3540185 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL3947790 | 0.57 | — | — | |
| SCHEMBL2012857 | 0.56 | — | — | |
| SCHEMBL4187727 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL31112226 | 0.55 | CHRM2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL31112496 | 0.55 | CHRM2 (0.31) | — | |
| SCHEMBL3478339 | 0.53 | — | — | |
| SCHEMBL6130363 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2609067-A1 | PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER | Sumitomo Chemical Co., Ltd (JP) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012026617-A1 | PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-03-01 | — | — | WO | disclosed |
| EP-2344437-A1 | PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010041767-A1 | PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-15 | — | — | WO | disclosed |