⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18469390 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL27263410 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL28158353 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL1825208 | 0.78 | — | — | |
| SCHEMBL3610748 | 0.78 | — | — | |
| SCHEMBL9438135 | 0.78 | — | — | |
| SCHEMBL9278073 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL9201168 | 0.75 | — | — | |
| SCHEMBL16380049 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL14654856 | 0.73 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180105477-A1 | A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND | ZHEJIANG NHU COMPANY LTD. (CN) | 2018-04-19 | — | — | US | disclosed |
| US-9000192-B2 | Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2015-04-07 | — | — | US | disclosed |
| US-8674144-B2 | Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-03-18 | — | — | US | disclosed |
| US-20130217895-A1 | CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-08-22 | — | — | US | disclosed |
| US-20120136176-A1 | CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2012-05-31 | — | — | US | disclosed |