⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2751659 | 0.76 | — | — | |
| SCHEMBL35578 | 0.72 | — | — | |
| SCHEMBL3214909 | 0.71 | — | — | |
| SCHEMBL28181528 | 0.69 | LMNA (0.47) | — | |
| SCHEMBL28991689 | 0.69 | LMNA (0.47) | — | |
| SCHEMBL28025627 | 0.67 | — | — | |
| SCHEMBL4753076 | 0.67 | — | — | |
| SCHEMBL5702582 | 0.67 | LMNA (0.44) | — | |
| SCHEMBL1906881 | 0.67 | — | — | |
| SCHEMBL326495 | 0.67 | — | — |
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-RE35230-E | SELECTIVE DEHYDROCYANATION WITH OXYNITRILASE ENZYME | BEND RESEARCH, INC. (US) | 1996-05-07 | — | — | US | claimed |
| US-5241087-A | ENANTIOMERIC ENRICHMENT OF CYANOHYDRINS | BEND RESEARCH, INC. (US) | 1993-08-31 | — | — | US | claimed |
| EP-0197418-B1 | REACTIVE AZO DYES | BAYER AG (DE) | 1989-03-01 | — | — | EP | disclosed |
| EP-0197418-A2 | Reactive azo dyes | BAYER AG (DE) | 1986-10-15 | — | — | EP | disclosed |