⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL483326 | 0.58 | — | — | |
| SCHEMBL3761267 | 0.56 | — | — | |
| SCHEMBL4779298 | 0.56 | — | — | |
| SCHEMBL649015 | 0.56 | — | — | |
| SCHEMBL27496369 | 0.56 | — | — | |
| SCHEMBL10824424 | 0.55 | — | — | |
| SCHEMBL599663 | 0.53 | — | — | |
| SCHEMBL1255388 | 0.53 | — | — | |
| SCHEMBL3674722 | 0.53 | — | — | |
| SCHEMBL22464658 | 0.46 | — | — |
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-5512647-A | CYANO GROUP-CONTAINING ACRYLATES, UNSATURATED NITRILES AND OTHER ETHYLENICALLY UNSATURATED MONOMERS; FUEL OIL AND COLD RESISTANCE | TOSOH CORPORATION (JP) | 1996-04-30 | — | — | US | disclosed |