⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12786259 | 1.00 | — | — | |
| SCHEMBL13400154 | 0.72 | CCR1 (0.38) | — | |
| SCHEMBL818155 | 0.72 | CCR1 (0.38) | — | |
| SCHEMBL2304288 | 0.72 | MEN1 (0.50) | — | |
| SCHEMBL12786233 | 0.72 | MEN1 (0.50) | — | |
| SCHEMBL6650361 | 0.64 | ALDH1A1 (0.56) | — | |
| SCHEMBL13400149 | 0.62 | HTT (0.42) | — | |
| SCHEMBL6673866 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL6648424 | 0.60 | IRAK4 (0.39) | — | |
| SCHEMBL14124549 | 0.60 | IRAK4 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8586498-B2 | Homogeneous asymmetric hydrogenation catalyst | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-11-19 | — | — | US | disclosed |
| US-8586498-B2 | Homogeneous asymmetric hydrogenation catalyst | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-11-19 | — | — | US | disclosed |
| US-20110065929-A1 | HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-03-17 | — | — | US | disclosed |
| US-20110065929-A1 | HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-03-17 | — | — | US | disclosed |