Butadiene

Butadiene

SCHEMBL6839102

C=CC=C.C=Cc1ccccc1C#N

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RCE1 Q9Y256 1/20 0.34
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL183840 0.96 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2CA1CA2
SCHEMBL30536365 0.96 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2CA1CA2
Benzene SCHEMBL28861778 0.93 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2CA1CA2
Acrylonitrile SCHEMBL28064833 0.89 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2CA1CA2
Styrene SCHEMBL10457520 0.86 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2CA1CA2
Isopropyl Alcohol SCHEMBL11293168 0.86 TSHR (0.42) ALDH1A1TSHRSMN1; SMN2CA1CA2
SCHEMBL28191077 0.83 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2KDM4EHPGD
SCHEMBL11216851 0.83 TSHR (0.41) ALDH1A1TSHRSMN1; SMN2CA1CA2
SCHEMBL28093719 0.81 CA1 (0.51) ALDH1A1CA1CA2KDM4EIMPDH2
Butadiene SCHEMBL28426278 0.79 NFE2L2 (0.44) ALDH1A1TSHRSMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6230438-B1 GERMINATION CONTROL GROW TEC INC. (CA) 2001-05-15 US claimed
US-6794419-B2 Method for recycling the resin mold SUZUKA FUJI XEROX CO., LTD. (JP) 2004-09-21 US disclosed
US-20040014827-A1 Method for recycling the resin mold SUZUKA FUJI XEROX CO., LTD. 2004-01-22 US disclosed
US-6610758-B2 Adding rubber-like material having compatibility with a thermoplastic resin which is the main component of resin mold as recycle aid agent when discarded resin mold is recycled by heating and melting SUZUKA FUJI XEROX CO., LTD. (JP) 2003-08-26 US disclosed
US-20020103267-A1 Method for recycling the resin mold SUZUKA FUJI XEROX CO., LTD 2002-08-01 US disclosed
EP-1166985-A1 METHOD OF RECYCLING MOLDED RESIN Suzuka Fuji Xerox Co., Ltd. (JP) 2002-01-02 EP disclosed
US-6230438-B1 GERMINATION CONTROL GROW TEC INC. (CA) 2001-05-15 US disclosed
CN-85106413-A Fuse and the outer field ceramic that porosity is arranged with imporosity degree 1987-03-18 CN disclosed
US-4581409-A COPOLYMERIZED WITH AN UNSATURATED SILANE COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed