⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL678375 | 0.73 | — | — | |
| SCHEMBL17552593 | 0.72 | — | — | |
| SCHEMBL87230 | 0.72 | — | — | |
| SCHEMBL12108326 | 0.69 | — | — | |
| SCHEMBL12912878 | 0.69 | — | — | |
| SCHEMBL8702492 | 0.69 | — | — | |
| SCHEMBL2036439 | 0.69 | — | — | |
| SCHEMBL12180002 | 0.67 | — | — | |
| SCHEMBL23792709 | 0.67 | — | — | |
| SCHEMBL2330074 | 0.67 | ALDH1A1 (0.31) | — |
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-8524953-B2 | Alcohol production method by reducing ester or lactone with hydrogen | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-09-03 | — | — | US | disclosed |
| US-20130006020-A1 | ALCOHOL PRODUCTION METHOD BY REDUCING ESTER OR LACTONE WITH HYDROGEN | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-01-03 | — | — | US | disclosed |
| US-8288575-B2 | Alcohol production method by reducing ester of lactone with hydrogen | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2012-10-16 | — | — | US | disclosed |
| US-20100063294-A1 | ALCOHOL PRODUCTION METHOD BY REDUCING ESTER OF LACTONE WITH HYDROGEN | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2010-03-11 | — | — | US | disclosed |
| EP-2161251-A1 | Alcohol production method by reducing ester or lactone with hydrogen | Takasago International Corporation (JP) | 2010-03-10 | — | — | EP | disclosed |