⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL15051448 | 0.95 | — | — | |
| Acetonitrile SCHEMBL586 | 0.95 | — | — | |
| Acetonitrile SCHEMBL2259244 | 0.95 | — | — | |
| Acetonitrile SCHEMBL8467273 | 0.95 | — | — | |
| Acetonitrile SCHEMBL10594717 | 0.91 | — | — | |
| Acetonitrile SCHEMBL528219 | 0.91 | — | — | |
| Acetonitrile SCHEMBL18187251 | 0.91 | — | — | |
| Acetonitrile SCHEMBL109065 | 0.91 | — | — | |
| Acetonitrile SCHEMBL20586623 | 0.91 | — | — | |
| Acetonitrile SCHEMBL21250174 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100249465-A1 | PROCESS FOR PRODUCTION OF HIGH-PURITY VINYL ETHER | MARUZEN PETROCHEMICAL CO., LTD. (JP) | 2010-09-30 | — | — | US | disclosed |
| US-20050245706-A1 | 6-Trifluoromethyl-2 vinyloxy-4-oxatricyclo[4.2.1.03,7]noname-5-one, and polymer compound | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2005-11-03 | — | — | US | disclosed |