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Acrylonitrile

Acrylonitrile

SCHEMBL28077128

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

nearest known ligand 0.38

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ ZDHHC20 Q5W0Z9 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ TRPV1 Q8NER1 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL194349 0.87 TSHR (0.44) TSHRHPGDALDH1A1ATMCNR2
SCHEMBL28188097 0.82 TDP1 (0.43) TSHRHPGDALDH1A1ATMCNR2
SCHEMBL5682722 0.82 TSHR (0.52) TSHRALDH1A1CNR2TRPV1EPHX2
SCHEMBL28923222 0.80 TSHR (0.55) TSHRCNR2TRPV1EPHX2
SCHEMBL1123372 0.80 TSHR (0.55) TSHRCNR2TRPV1EPHX2
SCHEMBL2001226 0.80 TSHR (0.55) TSHRCNR2TRPV1EPHX2
SCHEMBL9450143 0.80 TSHR (0.55) TSHRCNR2TRPV1EPHX2
SCHEMBL1196191 0.79 TSHR (0.39) TSHRHPGDALDH1A1ATMZDHHC20
Acrylonitrile SCHEMBL4005713 0.76 TSHR (0.64) TSHRHPGDALDH1A1ATMZDHHC20
SCHEMBL11257001 0.76 TSHR (0.38) TSHRALDH1A1CNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732889-A Photosensitive resin and synthetic method thereof 深圳市容大感光科技股份有限公司 2016-07-06 — — CN disclosed