⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2423219 | 0.85 | — | — | |
| SCHEMBL9770408 | 0.82 | TDP1 (0.53) | — | |
| SCHEMBL4590466 | 0.80 | — | — | |
| SCHEMBL23531396 | 0.77 | TDP1 (0.48) | — | |
| SCHEMBL23531274 | 0.77 | TDP1 (0.48) | — | |
| SCHEMBL918641 | 0.74 | — | — | |
| SCHEMBL3808439 | 0.74 | — | — | |
| SCHEMBL1019755 | 0.74 | — | — | |
| SCHEMBL7668146 | 0.72 | — | — | |
| SCHEMBL2558170 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110396265-B | Rubber composition with self-healing function, vulcanized rubber, and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-07-12 | — | — | CN | claimed |
| CN-114685902-A | Heat-conducting rubber composition and application thereof, vulcanized rubber and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-07-01 | — | — | CN | claimed |
| CN-110396231-B | Rubber composition with self-healing function and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-03-15 | — | — | CN | claimed |
| CN-108794830-B | Rubber composition, vulcanized rubber, and preparation method and application thereof | 中国石油化工股份有限公司 | 2021-07-02 | — | — | CN | claimed |
| CN-108017728-B | Rubber composition, modified rubber with self-healing function and preparation method and application thereof | 中国石油化工股份有限公司 | 2021-04-13 | — | — | CN | claimed |
| CN-110396265-B | Rubber composition with self-healing function, vulcanized rubber, and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-114685902-A | Heat-conducting rubber composition and application thereof, vulcanized rubber and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-110396231-B | Rubber composition with self-healing function and preparation method and application thereof | 中国石油化工股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-108794830-B | Rubber composition, vulcanized rubber, and preparation method and application thereof | 中国石油化工股份有限公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-108017728-B | Rubber composition, modified rubber with self-healing function and preparation method and application thereof | 中国石油化工股份有限公司 | 2021-04-13 | — | — | CN | disclosed |