⚠ 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 | |
|---|---|---|---|---|
| Acrolein SCHEMBL794083 | 0.94 | — | — | |
| Acrolein SCHEMBL29438553 | 0.94 | — | — | |
| Acrolein SCHEMBL27256243 | 0.94 | ALDH1A1 (1.00) | — | |
| Acrolein SCHEMBL2571 | 0.94 | — | — | |
| Acrolein SCHEMBL601518 | 0.89 | — | — | |
| Acrolein SCHEMBL8140991 | 0.89 | — | — | |
| Acrolein SCHEMBL8060662 | 0.89 | — | — | |
| Acrolein SCHEMBL22833885 | 0.89 | — | — | |
| Acrolein SCHEMBL6233561 | 0.89 | — | — | |
| Acrolein SCHEMBL1028796 | 0.89 | — | — |
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-110343414-A | A kind of new waterproof powder of lacquer putty for use on and its processing method | 江苏精恒新型材料科技有限公司 | 2019-10-18 | — | — | CN | claimed |
| CN-109304152-B | Heteroatom-containing nano carbon material and acrolein oxidation method | 中国石油化工股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-110343414-A | A kind of new waterproof powder of lacquer putty for use on and its processing method | 江苏精恒新型材料科技有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-104345589-B | Toner | 佳能株式会社 | 2018-04-24 | — | — | CN | disclosed |
| CN-100339235-C | Thermal recording material | FUJI PHOTO FILM CO LTD (JP) | 2007-09-26 | — | — | CN | disclosed |
| CN-1612812-A | Thermosensitive recording material | FUJI PHOTO FILM CO LTD (JP) | 2005-05-04 | — | — | CN | disclosed |
| US-5051409-A | Fungicides | BASF AKTIENGESELLSCHAFT (DE) | 1991-09-24 | — | — | US | disclosed |