Butadiene

Butadiene

SCHEMBL9720053

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

nearest known ligand 0.40

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 11/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL650597 0.96 TSHR (0.42) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL14740570 0.96 TSHR (0.42) TSHRHPGDMAPTCACNA1BAPBA1
Ethylene SCHEMBL2050495 0.95 TSHR (0.41) TSHRHPGDMAPTCACNA1BAPBA1
Methacrylic Acid SCHEMBL6275938 0.91 TSHR (0.39) TSHRHPGDMAPTCACNA1BAPBA1
Butadiene SCHEMBL4557890 0.91 TSHR (0.47) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL10565297 0.89 THRB (0.50) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL27507777 0.88 THRB (0.44) TSHRHPGDMAPTCACNA1BAPBA1
Methacrylic Acid SCHEMBL8664308 0.87 TSHR (0.41) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL7906178 0.87 TSHR (0.36) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL7906177 0.87 TSHR (0.38) TSHRHPGDMAPTCACNA1BAPBA1

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
US-5164434-A Sulfide compound for thermal and/or oxidative stabilization of polymers ROHM AND HAAS COMPANY (US) 1992-11-17 US disclosed