⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30056204 | 0.86 | DRD4 (0.36) | — | |
| SCHEMBL10933403 | 0.84 | — | — | |
| SCHEMBL8126055 | 0.79 | — | — | |
| SCHEMBL6525315 | 0.74 | APOBEC3G (0.35) | — | |
| SCHEMBL31394482 | 0.70 | PDCD1 (0.34) | — | |
| SCHEMBL31324935 | 0.70 | GPR17 (0.30) | — | |
| SCHEMBL31324927 | 0.70 | GPR17 (0.30) | — | |
| SCHEMBL5185352 | 0.69 | — | — | |
| SCHEMBL8130604 | 0.68 | CYP3A4 (0.33) | — | |
| SCHEMBL8135310 | 0.68 | NOTUM (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6156940-A | Process for producing optically active carbinols | SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) | 2000-12-05 | — | — | US | disclosed |
| EP-0713848-B1 | Process for producing optically active carbinols | SUMIKA FINE CHEMICALS COMPANY (JP) | 1999-09-08 | — | — | EP | disclosed |
| US-5831132-A | REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS | SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) | 1998-11-03 | — | — | US | disclosed |
| EP-0713848-A1 | Process for producing optically active carbinols | SUMIKA FINE CHEMICALS Company, Limited (JP) | 1996-05-29 | — | — | EP | disclosed |