⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28164332 | 0.80 | SLC6A2 (0.33) | — | |
| SCHEMBL475385 | 0.79 | — | — | |
| SCHEMBL80843 | 0.79 | — | — | |
| SCHEMBL2267946 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28298516 | 0.77 | — | — | |
| SCHEMBL348693 | 0.77 | — | — | |
| SCHEMBL4955062 | 0.77 | — | — | |
| SCHEMBL3679748 | 0.77 | — | — | |
| SCHEMBL4760015 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL21056373 | 0.75 | SLC6A2 (0.33) | — |
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-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-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 |