Acrylonitrile

Acrylonitrile

SCHEMBL8407995

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

nearest known ligand 0.38

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TET2 Q6N021 3/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 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
SCHEMBL7758820 0.82 TET2 (0.40) ALOX15HSD17B10TET2TET3TET1
SCHEMBL16661 0.82
Acrylonitrile SCHEMBL5142937 0.82 ABCC4 (0.36) ALOX15HSD17B10ALDH1A1TSHR
Acrylonitrile SCHEMBL8333078 0.82 ALOX15 (0.36) ALOX15HSD17B10ALDH1A1TSHRTET2
Acrylic Acid SCHEMBL29373711 0.80 ALOX15 (0.58) ALOX15HSD17B10ALDH1A1TSHRTET2
SCHEMBL4532573 0.79 TET2 (0.39) ALOX15HSD17B10TET2TET3TET1
SCHEMBL30849720 0.79
SCHEMBL29150247 0.79
Ethylene SCHEMBL7184477 0.79 TET2 (0.39) ALOX15HSD17B10TET2TET3TET1
Acrylonitrile SCHEMBL3041952 0.79 CES1 (0.38) ALOX15HSD17B10ALDH1A1TSHR

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-0656927-B1 METALLO ORGANO LIQUID CRYSTALS IN A POLYMER MATRIX SNIARICERCHE S C P A (IT) 1999-12-01 EP disclosed
EP-0927753-A1 Liquid crystal dispersed polymer electrooptical films having reverse morphology Sniaricerche S.C.P.A. (IT) 1999-07-07 EP disclosed
US-5843333-A Metallo organo liquid crystals in a polymer matrix SNIARICERCHE S.C.P.A (IT) 1998-12-01 US disclosed
EP-0656927-A1 METALLO ORGANO LIQUID CRYSTALS IN A POLYMER MATRIX Sniaricerche S.C.P.A. (IT) 1995-06-14 EP disclosed
WO-1995001410-A1 METALLO ORGANO LIQUID CRYSTALS IN A POLYMER MATRIX SNIARICERCHE S.C.P.A. (IT) 1995-01-12 WO disclosed