⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL54589 | 0.96 | — | — | |
| SCHEMBL41930 | 0.96 | — | — | |
| SCHEMBL3161530 | 0.96 | — | — | |
| SCHEMBL29094233 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27559035 | 0.92 | — | — | |
| SCHEMBL4362830 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL2783611 | 0.92 | — | — | |
| Ethylene SCHEMBL1124087 | 0.92 | — | — | |
| SCHEMBL31160349 | 0.92 | — | — | |
| Butadiene SCHEMBL2023603 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105102486-B | Nitrile group-containing copolymer rubber, crosslinkable rubber composition, and crosslinked rubber product | 日本瑞翁株式会社 | 2018-12-28 | — | — | CN | disclosed |