⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL10886651 | 0.92 | ALDH1A1 (0.46) | — | |
| SCHEMBL10933076 | 0.78 | — | — | |
| SCHEMBL18544811 | 0.78 | — | — | |
| SCHEMBL10694535 | 0.78 | — | — | |
| SCHEMBL23733509 | 0.73 | — | — | |
| SCHEMBL19225150 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL8105118 | 0.70 | — | — | |
| SCHEMBL8021352 | 0.70 | — | — | |
| SCHEMBL1181555 | 0.67 | — | — | |
| SCHEMBL2045280 | 0.65 | ALDH1A1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112851892-A | Preparation method of polypropylene with high melt strength | 中国石油天然气股份有限公司 | 2021-05-28 | — | — | CN | claimed |
| CN-106176742-A | Be suitable to the pharmaceutical composition containing granisetron and the preparation and application thereof of transdermal administration | 江苏康倍得药业股份有限公司 | 2016-12-07 | — | — | CN | claimed |
| EP-1266915-B1 | THERMOPLASTIC RESIN COMPOSITIONS AND PRODUCTION PROCESSES THEREOF | RIKEN TECHNOS CORP (JP) | 2009-10-21 | — | — | EP | claimed |
| CN-112851892-A | Preparation method of polypropylene with high melt strength | 中国石油天然气股份有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-109665942-A | The preparation method of fluorine-containing ether compound | 山东东岳高分子材料有限公司 | 2019-04-23 | — | — | CN | disclosed |
| US-5026917-A | Acetylation of 2-methylnaphthalenes | AMOCO CORPORATION (US) | 1991-06-25 | — | — | US | disclosed |
| EP-0302392-A2 | Polyfluoroethers | DAIKIN INDUSTRIES, LIMITED (JP) | 1989-02-08 | — | — | EP | disclosed |