⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL3716465 | 0.97 | ALDH1A1 (0.35) | — | |
| 1,2-Dichloroethane SCHEMBL7562998 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL11417304 | 0.90 | ALDH1A1 (0.33) | — | |
| SCHEMBL7529535 | 0.89 | ALDH1A1 (0.44) | — | |
| SCHEMBL1438 | 0.89 | — | — | |
| Chloroacetic Acid SCHEMBL23094081 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL11418192 | 0.88 | HSD17B10 (0.50) | — | |
| Vinyl Chloride SCHEMBL15910987 | 0.86 | ALDH1A1 (0.38) | — | |
| Vinyl Chloride SCHEMBL8397531 | 0.86 | ALDH1A1 (0.38) | — | |
| Vinyl Chloride SCHEMBL7758502 | 0.86 | ALDH1A1 (0.38) | — |
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-109369609-A | A kind of preparation method of sulfuric acid vinyl ester | 珠海市赛纬电子材料股份有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-106187989-B | The preparation method of sulfuric acid vinyl ester | 张家港瀚康化工有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-105188910-B | Nitrogen-containing activated carbon adsorbents and methods of using same | 能源及环境研究中心基金会 | 2018-10-19 | — | — | CN | disclosed |
| CN-107661744-A | Nitrogenous acticarbon and use its method | 能源及环境研究中心基金会 | 2018-02-06 | — | — | CN | disclosed |
| CN-105802484-A | Engine radiation noise reduction structure | 现代自动车株式会社 | 2016-07-27 | — | — | CN | disclosed |
| WO-1998046593-A1 | NOVEL CARBOSTYRIL DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-22 | — | — | WO | disclosed |