SCHEMBL11645545

SCHEMBL11645545

CC=CCCC=C(C)C=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11645540 1.00 BTN3A1 (0.33) BTN3A1ALDH1A1KMT2APPARGPPARD
SCHEMBL11331795 0.86 SOAT1 (0.35) BTN3A1KMT2APPARGPPARDPPARA
SCHEMBL24597049 0.77 KMT2A (0.46) BTN3A1ALDH1A1KMT2A
SCHEMBL10389307 0.77 KMT2A (0.46) BTN3A1ALDH1A1KMT2A
SCHEMBL10389309 0.77 KMT2A (0.46) BTN3A1ALDH1A1KMT2A
SCHEMBL6201079 0.76 KMT2A (0.36) KMT2A
SCHEMBL10048645 0.76 ALDH1A1 (0.45) ALDH1A1KMT2A
SCHEMBL8853223 0.76 ALDH1A1 (0.45) ALDH1A1KMT2A
SCHEMBL8343220 0.74
SCHEMBL9246160 0.74

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167667-A Microcapsules 西姆莱斯股份公司 2019-08-23 CN disclosed
CN-107530269-A Stable dispersion 西姆莱斯股份公司 2018-01-02 CN disclosed
CN-107427422-A Fragrant agent dispersion for detergent composition 西姆莱斯股份公司 2017-12-01 CN disclosed
CN-107072198-A Natural acaricides for acarid, the identification for acarid are marked and preparation method thereof 全北大学校产学协力团 2017-08-18 CN disclosed
CN-105801474-A Method for refining 3, 6-clopyralid 张玲 2016-07-27 CN disclosed
US-4105697-A Process for the preparation of α, β-ethylenic aldehydes RHONE-POULENC INDUSTRIES (FR) 1978-08-08 US disclosed
US-4073813-A PLATINUM REDUCTION CATALYST, ALDEHYDES, HYDROGEN RHONE-POULENC INDUSTRIES (FR) 1978-02-14 US disclosed