⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861219 | 0.86 | — | — | |
| SCHEMBL9174857 | 0.69 | — | — | |
| SCHEMBL9174862 | 0.69 | — | — | |
| SCHEMBL9861836 | 0.66 | — | — | |
| SCHEMBL9484900 | 0.65 | — | — | |
| SCHEMBL4131162 | 0.63 | — | — | |
| SCHEMBL9019379 | 0.62 | — | — | |
| SCHEMBL9800944 | 0.61 | — | — | |
| SCHEMBL1897021 | 0.57 | — | — | |
| SCHEMBL10968697 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5019630-A | 1,1-dicyano-2-vinylcyclopropane and 1,1-difluoro-2-vinylcyclopropane derivative monomers gasoline resistance | NIPPON ZEON CO., LTD. (JP) | 1991-05-28 | — | — | US | claimed |