⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10024502 | 1.00 | — | — | |
| SCHEMBL11105090 | 0.87 | ALDH1A1 (0.56) | — | |
| SCHEMBL11105098 | 0.87 | ALDH1A1 (0.56) | — | |
| SCHEMBL14081069 | 0.78 | — | — | |
| SCHEMBL12257167 | 0.78 | IAPP (0.41) | — | |
| SCHEMBL14401623 | 0.78 | IAPP (0.41) | — | |
| SCHEMBL9911578 | 0.77 | — | — | |
| SCHEMBL279294 | 0.77 | — | — | |
| SCHEMBL2728624 | 0.77 | — | — | |
| SCHEMBL3608242 | 0.77 | — | — |
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-112094181-B | Synthesis method and application of 4-oxo-trans-2-hexenal analogue | 中国农业科学院植物保护研究所 | 2022-07-19 | — | — | CN | disclosed |
| CN-112094181-A | Synthesis method and application of 4-oxo-trans-2-hexenal analogue | 中国农业科学院植物保护研究所 | 2020-12-18 | — | — | CN | disclosed |
| US-20160090350-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS | CELLIX BIO PRIVATE LIMITED (IN) | 2016-03-31 | — | — | US | disclosed |
| US-7608742-B2 | Diarylphenoxy aluminum compounds | BASF AKTIENGESELLSCHAFT (DE) | 2009-10-27 | — | — | US | disclosed |
| US-20090022772-A1 | BIOABSORBABLE ELASTOMERIC ARTERIAL SUPPORT DEVICE AND METHODS OF USE | MEDIVAS, LLC (US) | 2009-01-22 | — | — | US | disclosed |
| US-20080167504-A1 | reacting a bis(diarylphenol) ligand with an alkylaluminum compound and/or a complex aluminum hydride; producing isopulegol by cyclization of citronellal in the presence of diarylphenoxyaluminum compounds as catalysts | BASF AKTIENGESELLSCHAFT (DE) | 2008-07-10 | — | — | US | disclosed |