⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL53959 | 0.97 | — | — | |
| SCHEMBL3362078 | 0.78 | — | — | |
| SCHEMBL285224 | 0.76 | TERT (0.59) | — | |
| SCHEMBL1679282 | 0.76 | TAAR1 (0.64) | — | |
| SCHEMBL4397237 | 0.75 | — | — | |
| SCHEMBL6400604 | 0.75 | — | — | |
| SCHEMBL7300422 | 0.74 | — | — | |
| Bromide SCHEMBL28876753 | 0.73 | TBXAS1 (0.51) | — | |
| SCHEMBL7812365 | 0.73 | — | — | |
| SCHEMBL3030817 | 0.73 | TBXAS1 (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118055862-A | Silica reinforced rubber compositions and articles made therefrom | 迈图高新材料公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-111247201-B | Air-curable ethylene/alpha-olefin/diene interpolymer compositions | 陶氏环球技术有限责任公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-111868155-B | Ethylene/alpha-olefin interpolymer compositions with improved sustained high temperature resistance | 陶氏环球技术有限责任公司 | 2024-01-02 | — | — | CN | disclosed |
| WO-2022065449-A1 | VULCANIZED RUBBER COMPOSITION AND TIRE | 住友化学株式会社 | 2022-03-31 | — | — | WO | disclosed |