⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26292 | 0.91 | — | — | |
| SCHEMBL27487591 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL27263270 | 0.87 | — | — | |
| Water SCHEMBL27826259 | 0.87 | — | — | |
| SCHEMBL8467152 | 0.87 | — | — | |
| SCHEMBL28838747 | 0.87 | — | — | |
| SCHEMBL8466052 | 0.87 | — | — | |
| SCHEMBL28124098 | 0.87 | — | — | |
| SCHEMBL28952826 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28292764 | 0.87 | — | — |
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-110240761-B | Rubber composition and application thereof, and vulcanized capsule and preparation method thereof | 中国石油化工股份有限公司 | 2022-07-12 | — | — | CN | claimed |
| CN-110240762-B | Rubber composition and application thereof, tire tube and preparation method thereof | 中国石油化工股份有限公司 | 2022-03-29 | — | — | CN | claimed |
| CN-107793535-B | Butyl rubber, rubber product, composition, application, inner liner, inner tube and vulcanization capsule of vehicle tire | 中国石油化工股份有限公司 | 2021-02-02 | — | — | CN | claimed |