Butadiene

Butadiene

SCHEMBL4763262

C=CC=C.O=C(O)OCCOC(=O)O

nearest known ligand 0.44

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 2/20 0.39
THRB P10828 2/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HCAR2 Q8TDS4 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
Butadiene SCHEMBL5792487 0.89 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
Propene SCHEMBL278243 0.86 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
Ethylene SCHEMBL8927826 0.84 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20649 0.84 ALDH1A1 (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
Bicarbonate SCHEMBL17515127 0.83 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
Bicarbonate SCHEMBL1169966 0.81 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20550573 0.81 ALDH1A1 (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5351798 0.81
Bicarbonate SCHEMBL14958168 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3268545 0.81 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008204885-A NONAQUEOUS ELECTROLYTE BATTERY MATSUSHITA ELECTRIC IND CO LTD 2008-09-04 JP disclosed
CN-1575528-A Battery with a battery cell SONY CORP (JP) 2005-02-02 CN disclosed
US-20050008940-A1 Battery SONY CORPORATION (JP) 2005-01-13 US disclosed