⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11728130 | 1.00 | — | — | |
| SCHEMBL8534568 | 0.80 | — | — | |
| SCHEMBL8534570 | 0.80 | — | — | |
| SCHEMBL4726281 | 0.79 | HCAR2 (0.47) | — | |
| SCHEMBL4726279 | 0.79 | HCAR2 (0.47) | — | |
| SCHEMBL5550025 | 0.79 | HCAR2 (0.47) | — | |
| SCHEMBL21780067 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL25405178 | 0.78 | HCAR2 (0.40) | — | |
| SCHEMBL1071656 | 0.78 | HCAR2 (0.40) | — | |
| SCHEMBL25405174 | 0.78 | HCAR2 (0.40) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110960458-A | Moisturizing essence emulsion and preparation method thereof | 苏州东方之宝生物药业有限公司 | 2020-04-07 | — | — | CN | claimed |
| CN-117736084-A | Method for preparing crotonic acid through aluminosilicate-catalyzed solvent-free dehydration | 合肥康鸿生物科技有限公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-114956980-B | Method for synthesizing crotonic acid | 中国计量大学 | 2023-08-04 | — | — | CN | disclosed |
| CN-112624917-B | Method for producing crotonic acid by catalytic oxidation method | 湖州柏特生物科技有限公司 | 2023-06-09 | — | — | CN | disclosed |
| US-20220298038-A1 | A METHOD FOR DISRUPTING BIOFILMS IN WASTEWATER SYSTEMS | Grenof Pty Ltd (AU) | 2022-09-22 | — | — | US | disclosed |
| CN-114956980-A | Method for synthesizing crotonic acid | 中国计量大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-110960458-A | Moisturizing essence emulsion and preparation method thereof | 苏州东方之宝生物药业有限公司 | 2020-04-07 | — | — | CN | disclosed |
| US-8129535-B2 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |