Butadiene

Butadiene

SCHEMBL28129794

C=C(Cl)CC(=O)O.C=CC=C

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.30

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
SCHEMBL776504 0.89
SCHEMBL28053344 0.87 ALOX15 (0.48) ALOX15HSD17B10LDHASRRABCC4
SCHEMBL28835535 0.83 ALOX15 (0.36) ALOX15HSD17B10LDHASRR
SCHEMBL28100165 0.81 ALOX15 (0.48) ALOX15HSD17B10LDHASRRABCC4
Malonic Acid SCHEMBL17985762 0.80 LDHA (0.64) ALOX15HSD17B10LDHASRRABCC4
Itaconate SCHEMBL11346891 0.78 ALOX15 (0.68) ALOX15HSD17B10LDHASRRTSHR
SCHEMBL27996425 0.75 ALOX15 (0.47) ALOX15HSD17B10TSHRKDM4ELMNA
Itaconate SCHEMBL4294336 0.74 ALOX15 (0.77) ALOX15HSD17B10LDHASRRABCC4
Butadiene SCHEMBL10491798 0.73 LMNA (0.47) TSHRLMNAALDH1A1
SCHEMBL11293518 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109789718-A Ostentatious manufacture 爱克发有限公司 2019-05-21 CN claimed
CN-106414846-A Lidding material for blister packaging and the like 科尔登霍夫路浩有限公司 2017-02-15 CN disclosed