⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8076117 | 1.00 | — | — | |
| SCHEMBL6056803 | 1.00 | — | — | |
| SCHEMBL4631949 | 1.00 | — | — | |
| SCHEMBL8076110 | 1.00 | — | — | |
| SCHEMBL4631946 | 1.00 | — | — | |
| SCHEMBL8076202 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL20637071 | 0.97 | TP53 (0.38) | — | |
| Butadiene SCHEMBL17397584 | 0.90 | TP53 (0.33) | — | |
| Butadiene SCHEMBL17397583 | 0.90 | TP53 (0.33) | — | |
| SCHEMBL19552809 | 0.81 | TSHR (0.44) | — |
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-0620857-B1 | SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS | GENZYME LTD (GB) | 2000-08-02 | — | — | EP | disclosed |
| US-5686275-A | LACTATE DEHYDROGENASE | GENZYME LTD. (GB) | 1997-11-11 | — | — | US | disclosed |
| WO-1993013215-A1 | SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS | GENZYME LIMITED (GB) | 1993-07-08 | — | — | WO | disclosed |