⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2895728 | 1.00 | — | — | |
| SCHEMBL27622605 | 0.81 | — | — | |
| SCHEMBL4717215 | 0.81 | — | — | |
| SCHEMBL7480723 | 0.79 | — | — | |
| SCHEMBL27932471 | 0.79 | — | — | |
| SCHEMBL21811760 | 0.79 | PRKCA (0.34) | — | |
| SCHEMBL27964982 | 0.78 | MGAM (0.52) | — | |
| SCHEMBL5077875 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL265822 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL5081302 | 0.78 | TSHR (0.50) | — |
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-20120064611-A1 | Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2012-03-15 | — | — | US | disclosed |
| EP-2419519-A1 | PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE | Isis Innovation Limited (GB) | 2012-02-22 | — | — | EP | disclosed |