Butadiene

Butadiene

SCHEMBL28075640

C=C(C)C(=O)OC.C=CC.C=CC(=O)OCCCC.C=CC=C

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 3/20 0.41
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.37

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
Butadiene SCHEMBL3320515 0.97 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
Propene SCHEMBL28218369 0.97 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10893415 0.94 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5844442 0.94 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7532090 0.94 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27965774 0.94 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL521825 0.94 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL35081 0.94 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL28682532 0.91 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Methyl Ester SCHEMBL6744119 0.91 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106009528-A Low-viscosity high-tenacity epoxy resin matrix for resin transfer molding and shaping and preparation method of low-viscosity high-tenacity epoxy resin matrix 苏州之诺新材料科技有限公司 2016-10-12 CN disclosed