Butadiene

Butadiene

SCHEMBL1075581

C=CC=C.C=CCOC(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TSHR P16473 5/20 0.41
MAPT P10636 3/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SNCA P37840 1/20 0.33
APP P05067 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
RHOA P61586 1/20 0.32
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL9929 0.95
Water SCHEMBL9280962 0.92
SCHEMBL744340 0.92
Ethylene SCHEMBL28558573 0.92 CYP3A4 (0.45) CYP3A4TSHRMAPTCACNA1BAPBA1
Ammonia Solution, Strong SCHEMBL438668 0.92
Hydrochloric Acid SCHEMBL9501363 0.92
Ethylene SCHEMBL5541393 0.92
Methane SCHEMBL11128169 0.92
SCHEMBL175470 0.92
Phosphine SCHEMBL8096493 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892789-B1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2018-02-28 EP disclosed
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed