⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22399 | 0.86 | — | — | |
| Ethylene Glycol SCHEMBL28323136 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL20828 | 0.80 | — | — | |
| Alcohol SCHEMBL5720362 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL10534604 | 0.76 | — | — | |
| Propanol SCHEMBL8683015 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL10534598 | 0.74 | — | — | |
| Alcohol SCHEMBL20162272 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL21906303 | 0.71 | — | — | |
| SCHEMBL543529 | 0.70 | CETP (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2392400-B1 | Homogeneous asymmetric hydrogenation method | TAKASAGO PERFUMERY CO LTD (JP) | 2014-05-07 | — | — | EP | disclosed |
| EP-2392400-A2 | Homogeneous asymmetric hydrogenation catalyst | Takasago International Corporation (JP) | 2011-12-07 | — | — | EP | disclosed |