Butadiene

Butadiene

SCHEMBL8997293

C=C(O)C(=O)OCC.C=CC=C

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
GLO1 Q04760 1/20 0.43
MAPT P10636 3/20 0.43
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL36941 0.91
Acrylic Acid SCHEMBL1665309 0.89 ALDH1A1 (0.45) ALDH1A1TSHRNPSR1GLO1MAPT
Vinyl Chloride SCHEMBL8742430 0.89 ALDH1A1 (0.45) ALDH1A1TSHRNPSR1GLO1MAPT
SCHEMBL28161247 0.88
Methane SCHEMBL27880950 0.88
SCHEMBL27688167 0.88
Ethane SCHEMBL28292869 0.88 ALDH1A1 (0.52) ALDH1A1TSHRNPSR1GLO1MAPT
Acetic Acid SCHEMBL10953047 0.86 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1GLO1MAPT
Water SCHEMBL28125207 0.86 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1GLO1MAPT
Water SCHEMBL28125205 0.86 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1GLO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544052-B1 Use of a photocurable resin composition for the preparation of a laminated film. DAICEL UCB CO LTD (JP) 1996-09-04 EP disclosed
EP-0562578-B1 Polyester resin for a dye receptive-layer used in thermal transfer recording MITSUBISHI RAYON CO (JP) 1995-03-15 EP disclosed
US-5376500-A Storage stability, discoloration inhibition MITSUBISHI RAYON CO., LTD. (JP) 1994-12-27 US disclosed
US-5322762-A High contrast, visible after irradiation; tribromomethyl phenyl sulfone, leuco diamond green, and dye MITSUBISHI RAYON CO., LTD. (JP) 1994-06-21 US disclosed
EP-0562578-A1 Polyester resin for a dye receptive-layer used in thermal transfer recording MITSUBISHI RAYON CO., LTD (JP) 1993-09-29 EP disclosed