⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL9116926 | 1.00 | — | — | |
| Butadiene SCHEMBL8101720 | 0.96 | — | — | |
| Butadiene SCHEMBL8088150 | 0.96 | — | — | |
| Acrolein SCHEMBL27800539 | 0.83 | — | — | |
| Vinyl Chloride SCHEMBL28313095 | 0.81 | — | — | |
| Propene SCHEMBL7941309 | 0.81 | — | — | |
| Propene SCHEMBL8469072 | 0.81 | — | — | |
| Ethylene SCHEMBL3665683 | 0.79 | — | — | |
| Ethylene SCHEMBL27358864 | 0.79 | — | — | |
| Propene SCHEMBL1274973 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105585397-B | A method of passing through more side entry feed tubular reactor synthesis of vinyl norbornene | 中国石油化工股份有限公司 | 2019-07-16 | — | — | CN | disclosed |
| US-4806581-A | FREE-FLOWING PARTICLES OF VINYL CHLORIDE-POLYOLEFIN GRAFTS; CATALYSIS | OCCIDENTAL CHEMICAL CORPORATION (US) | 1989-02-21 | — | — | US | disclosed |
| US-4105610-A | REACTION PRODUCTS OF POLYDIOLEFINS, PHENOLS AND UNSATURATED CARBOXYLIC ACIDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-08-08 | — | — | US | disclosed |