⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630248 | 1.00 | — | — | |
| SCHEMBL3499331 | 0.87 | — | — | |
| SCHEMBL28953103 | 0.72 | — | — | |
| SCHEMBL8769435 | 0.72 | — | — | |
| SCHEMBL4664048 | 0.71 | — | — | |
| SCHEMBL9059321 | 0.67 | — | — | |
| SCHEMBL6239077 | 0.67 | — | — | |
| SCHEMBL835666 | 0.67 | — | — | |
| SCHEMBL835664 | 0.67 | — | — | |
| SCHEMBL835665 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873306-B1 | Process for hydrocyanation of diolefins | DU PONT (US) | 2002-03-20 | — | — | EP | claimed |
| US-5380931-A | Oxidative cleavage of polyethylenically unsaturated compound to produce carboxylic acid | NDSU RESEARCH FOUNDATION (US) | 1995-01-10 | — | — | US | claimed |
| US-5380931-A | Oxidative cleavage of polyethylenically unsaturated compound to produce carboxylic acid | NDSU RESEARCH FOUNDATION (US) | 1995-01-10 | — | — | US | disclosed |