⚠ 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 | |
|---|---|---|---|---|
| Decane SCHEMBL4769491 | 0.91 | TSHR (0.73) | — | |
| Hexane SCHEMBL8634894 | 0.89 | — | — | |
| Hexane SCHEMBL10902873 | 0.89 | TSHR (0.70) | — | |
| Hexane SCHEMBL1194219 | 0.89 | — | — | |
| Hexane SCHEMBL28099489 | 0.89 | TSHR (0.70) | — | |
| Hexane SCHEMBL357364 | 0.88 | TSHR (0.88) | — | |
| Hexane SCHEMBL5017645 | 0.88 | TSHR (0.88) | — | |
| Hexane SCHEMBL399 | 0.88 | — | — | |
| Hexane SCHEMBL11650566 | 0.88 | TSHR (0.88) | — | |
| Hexane SCHEMBL8705498 | 0.88 | TSHR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106749811-A | The preparation method of superelevation cis-polybutadiene rubber | 陕西聚洁瀚化工有限公司 | 2017-05-31 | — | — | CN | claimed |
| CN-106749811-A | The preparation method of superelevation cis-polybutadiene rubber | 陕西聚洁瀚化工有限公司 | 2017-05-31 | — | — | CN | disclosed |
| US-8877857-B2 | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2014-11-04 | — | — | US | disclosed |
| EP-2404944-B1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | SUMITOMO RUBBER IND (JP) | 2014-05-14 | — | — | EP | disclosed |
| US-20120095153-A1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2012-04-19 | — | — | US | disclosed |
| EP-2404944-A1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | Sumitomo Rubber Industries, Ltd. (JP) | 2012-01-11 | — | — | EP | disclosed |