Butadiene

Butadiene

SCHEMBL4378692

C=CC=C.C=Cc1cccnc1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP11B2 P19099 3/20 0.54
CYP11B1 P15538 1/20 0.54
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP19A1 P11511 2/20 0.47
KDM4E B2RXH2 1/20 0.47
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
VCP P55072 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL29522900 0.95
SCHEMBL20995 0.95
Bromide SCHEMBL1389398 0.93
SCHEMBL27985473 0.93
Iodide SCHEMBL11295890 0.93
Bromide SCHEMBL27867752 0.93
Hydrochloric Acid SCHEMBL1389458 0.93
Styrene SCHEMBL10710522 0.89 CYP11B2 (0.63) ALDH1A1CYP11B2CYP11B1MAPTRAB9A
Pyridine SCHEMBL28226174 0.89 CYP11B2 (0.57) ALDH1A1CYP11B2CYP11B1MAPTRAB9A
SCHEMBL5961935 0.89 ALDH1A1 (0.52) ALDH1A1CYP11B2CYP11B1MAPTRAB9A

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-20090281242-A1 METHOD OF PREPARING A POLYMER FILM HAVING NANOSCALE FEATURES AT THE SURFACE AND THAT IS MICROSTRUCTURED IN ITS THICKNESS OVER ALL OR PART OF THIS FILM IN ACCORDANCE WITH A PARTICULAR SYSTEM COMMISSARIAT A L 'ENERGIE ATOMIQUE (FR) 2009-11-12 US claimed
EP-2110360-A2 Method for preparing a polymer film having nanometric patterns on its surface and a microstructure in its thickness on all or part thereof according to a specific system Commissariat a L'Energie Atomique (FR) 2009-10-21 EP claimed
US-9845407-B2 Polymer electret and method of manufacturing the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-19 US disclosed
US-20160102223-A1 POLYMER ELECTRET AND METHOD OF MANUFACTURING THE SAME SAMSUNG DISPLAY CO., LTD (KR) 2016-04-14 US disclosed
US-20090281242-A1 METHOD OF PREPARING A POLYMER FILM HAVING NANOSCALE FEATURES AT THE SURFACE AND THAT IS MICROSTRUCTURED IN ITS THICKNESS OVER ALL OR PART OF THIS FILM IN ACCORDANCE WITH A PARTICULAR SYSTEM COMMISSARIAT A L 'ENERGIE ATOMIQUE (FR) 2009-11-12 US disclosed
EP-2110360-A2 Method for preparing a polymer film having nanometric patterns on its surface and a microstructure in its thickness on all or part thereof according to a specific system Commissariat a L'Energie Atomique (FR) 2009-10-21 EP disclosed