⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13024888 | 0.75 | — | — | |
| SCHEMBL2191025 | 0.75 | — | — | |
| SCHEMBL7762296 | 0.72 | — | — | |
| SCHEMBL2118585 | 0.64 | — | — | |
| SCHEMBL10384094 | 0.64 | — | — | |
| SCHEMBL6698518 | 0.64 | — | — | |
| SCHEMBL1050334 | 0.64 | — | — | |
| SCHEMBL15031028 | 0.64 | — | — | |
| SCHEMBL29823 | 0.64 | — | — | |
| SCHEMBL20955856 | 0.64 | — | — |
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-6717016-B2 | HAVING CHEMICAL SELECTIVITY, ENANTIOSELECTIVITY, CATALYTIC ACTIVITY; FOR USE AS A CATALYST FOR ASYMMETRIC SYNTHESES, ESPECIALLY ASYMMETRIC HYDROGENATION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-04-06 | — | — | US | disclosed |
| US-20030144139-A1 | Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2003-07-31 | — | — | US | disclosed |