Butadiene

Butadiene

SCHEMBL6000177

C=CC=C.CCCCCOCCCCC

nearest known ligand 0.52

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 4/20 0.46
CES2 O00748 2/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.39
CES1 P23141 1/20 0.39

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 SCHEMBL9755653 0.97 THRB (0.56) HTTMEN1THRBKMT2AMAPT
Butadiene SCHEMBL1959452 0.92 TSHR (0.55) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL28147469 0.89 HTT (0.52) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL1609594 0.86 THRB (0.56) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL9868937 0.86 THRB (0.56) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL27891180 0.86 THRB (0.56) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL10717815 0.86 THRB (0.56) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL28772384 0.86 TSHR (0.50) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL3789743 0.86 THRB (0.56) HTTMEN1THRBKMT2AMAPT
Propene SCHEMBL27874818 0.86 THRB (0.56) HTTMEN1THRBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323257-B1 WATER SOLUBLE REACTIVE GROUP TO JOIN TO A CHROMOPHORE TO A POLYMER HEWLETT-PACKARD COMPANY 2001-11-27 US claimed
US-7119160-B2 Polyalkenyl ether resin KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2006-10-10 US disclosed
US-20050176889-A1 Polyalkenyl ether resin KYOWA HAKKO CHEMICAL CO. LTD. (JP) 2005-08-11 US disclosed
US-20020156153-A1 Polymeric additives to improve print quality and permanence attributes in ink-jet inks HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. 2002-10-24 US disclosed
EP-1223046-A2 Polymeric additives to improve print quality and permanence attributes in ink-jet inks Hewlett-Packard Company (US) 2002-07-17 EP disclosed
US-6166100-A Cationically polymerizable pigmented composition KANSAI PAINT CO., LTD. (JP) 2000-12-26 US disclosed