Acrylonitrile

Acrylonitrile

SCHEMBL8948734

C=C(C)C(=O)OCCCCCCCC.C=CC#N

nearest known ligand 0.75

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.75
THRB P10828 1/20 0.45
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NAAA Q02083 1/20 0.43
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.39
CYP3A4 P08684 1/20 0.38
FAAH O00519 1/20 0.37

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
Acrylonitrile SCHEMBL3194627 1.00 TSHR (0.75) TSHRTHRBPOLBAPEX1HTT
Acrylonitrile SCHEMBL4005713 0.94 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
Acrylonitrile SCHEMBL28108185 0.92 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Water SCHEMBL19614805 0.88 TSHR (0.96) TSHRTHRBPOLBAPEX1HTT
Propene SCHEMBL28098866 0.87 TSHR (0.86) TSHRTHRBPOLBAPEX1HTT
Acrylonitrile SCHEMBL5972385 0.87 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9500747 0.87 TSHR (0.86) TSHRTHRBPOLBAPEX1HTT
Butadiene SCHEMBL11411521 0.87 TSHR (0.86) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25293880 0.87 TSHR (1.00) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6655183 0.87 TSHR (1.00) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686881-A1 Particulate polymer, electrophotographic toner, and preparation method EASTMAN KODAK COMPANY (US) 1995-12-13 EP claimed
EP-0745905-A1 Odor reduction in toner polymers EASTMAN KODAK COMPANY (US) 1996-12-04 EP disclosed
US-5521268-A Odor reduction in toner polymers EASTMAN KODAK COMPANY (US) 1996-05-28 US disclosed
US-5512403-A FIRST AND SECOND TYPE OF CARRIER PARTICLE COMPRISE HARD FERRITE, AND ATLEAST ONE OF CARRIER PARTICLE COMPRISES CORES HAVING POLYMERIC COATING; USED TO ADJUST THE CHARGE ON TONER EASTMAN KODAK COMPANY (US) 1996-04-30 US disclosed
EP-0686881-A1 Particulate polymer, electrophotographic toner, and preparation method EASTMAN KODAK COMPANY (US) 1995-12-13 EP disclosed