Acrylonitrile

Acrylonitrile

SCHEMBL5486032

C=C(C)C(=O)OCC(OC(=O)C(=C)C)C(=C)C(=O)OCC.C=CC#N

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 2/20 0.36
CYP2C9 P11712 1/20 0.33
GLO1 Q04760 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9356683 0.85 TSHR (0.49) TSHRALDH1A1THRBGLO1CASP1
Acrylonitrile SCHEMBL3420296 0.84 ALDH1A1 (0.55) TSHRALDH1A1THRBCYP2C9GLO1
SCHEMBL2641339 0.80 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL6848019 0.76 TSHR (0.57) TSHRALDH1A1THRBHPGDHTT
Acrylonitrile SCHEMBL9562514 0.75 TSHR (0.75) TSHRALDH1A1THRBKDM4EMEN1
SCHEMBL9356689 0.74 TSHR (0.48) TSHRALDH1A1THRBHPGDHTT
SCHEMBL7619457 0.74 TSHR (0.40) TSHR
Acrylic Acid SCHEMBL11314595 0.73 ALDH1A1 (0.44) TSHRALDH1A1THRBCYP2C9GLO1
SCHEMBL1922792 0.73 TSHR (0.52) TSHRALDH1A1THRB
Acrylonitrile SCHEMBL6658905 0.73 TSHR (0.56) TSHRALDH1A1THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256222-B2 Radiation-curable ink composition and image recording method FUJIFILM CORPORATION (JP) 2007-08-14 US disclosed
US-20040010052-A1 Radiation-curable ink composition and image recording method FUJIFILM CORPORATION (JP) 2004-01-15 US disclosed