⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL382930 | 1.00 | — | — | |
| SCHEMBL9078197 | 0.95 | GABRR1 (0.58) | — | |
| SCHEMBL3156859 | 0.88 | GABRR1 (0.56) | — | |
| SCHEMBL5616287 | 0.88 | GABRR1 (0.56) | — | |
| SCHEMBL285534 | 0.85 | GABRR1 (0.58) | — | |
| SCHEMBL18163464 | 0.85 | GABRR1 (0.58) | — | |
| SCHEMBL26138089 | 0.83 | SLC22A6 (0.75) | — | |
| SCHEMBL21566556 | 0.81 | GPR84 (0.64) | — | |
| SCHEMBL3089526 | 0.80 | SLC22A6 (0.71) | — | |
| SCHEMBL16585355 | 0.80 | GABRR1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0737751-B1 | Method for producing optically active ester of gamma-substituted-beta-hydroxybutyric acid | MITSUBISHI CHEM CORP (JP) | 2001-08-01 | — | — | EP | disclosed |
| US-5700670-A | TREATING MICROORGANISM CULTURE WITH ALKYL ESTER OF GAMMA-SUBSTITUTED ACETOACETIC ACID FOR STEREOSPECIFIC REDUCTION OF CARBONYL GROUP TO HYDROXYL GROUP YIELDS GAMMA-SUBSTITUTED 3-HYDROXYBUTYRIC ACID | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-12-23 | — | — | US | disclosed |
| EP-0737751-A2 | Method for producing optically active ester of gamma-substituted-beta-hydroxybutyric acid | Mitsubishi Chemical Corporation (JP) | 1996-10-16 | — | — | EP | disclosed |