Butadiene

Butadiene

SCHEMBL16290286

C=CC=C.CC/C=C/C(=O)O

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
GABRR1 P24046 2/20 0.44
GABRR2 P28476 2/20 0.44
BLM P54132 2/20 0.44
LMNA P02545 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
APEX1 P27695 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PPARA Q07869 2/20 0.44
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
HCAR2 Q8TDS4 5/20 0.38
ALDH1A1 P00352 3/20 0.35
CYP19A1 P11511 2/20 0.35
RXRA P19793 2/20 0.35
PPARG P37231 2/20 0.35
OXER1 Q8TDS5 2/20 0.35
FFAR1 O14842 1/20 0.35

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 SCHEMBL16290288 1.00 TSHR (0.44) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL193238 0.89
SCHEMBL5077461 0.89
SCHEMBL31609 0.89
Charcoal, Activated SCHEMBL31265614 0.87
SCHEMBL31339493 0.87
Charcoal, Activated SCHEMBL31347514 0.87 TSHR (0.50) TSHRGABRR1GABRR2BLMLMNA
Hydrochloric Acid SCHEMBL10892534 0.87
Methane SCHEMBL28824174 0.87
SCHEMBL30027441 0.87 TSHR (0.50) TSHRGABRR1GABRR2BLMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791342-B1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM SA (BR) 2020-04-29 EP disclosed
US-10273505-B2 Modified microorganisms and methods of making butadiene using same BRASKEM S.A. (BR) 2019-04-30 US disclosed
US-20180346936-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM S.A. (BR) 2018-12-06 US disclosed
US-10059963-B2 Modified microorganisms and methods of making butadiene using same BRASKEM S.A. (BR) 2018-08-28 US disclosed
US-9518273-B2 Modified microorganisms and methods of making butadiene using same BRASKEM S.A. (BR) 2016-12-13 US disclosed
US-20160032325-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM S.A. (BR) 2016-02-04 US disclosed
US-20150152439-A2 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM S.A. (BR) 2015-06-04 US disclosed
US-20140370564-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM SA (BR) 2014-12-18 US disclosed