Acrylonitrile

Acrylonitrile

SCHEMBL7574567

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

nearest known ligand 0.37

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 2/20 0.37
PTP4A1 Q93096 2/20 0.37
CYP3A4 P08684 1/20 0.35
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.35
PTP4A2 Q12974 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL44692 0.88
Acrylonitrile SCHEMBL10815857 0.83 TSHR (0.46) PTP4A3PTP4A1CYP3A4TSHRALDH1A1
Acrylic Acid SCHEMBL3257182 0.82 LMNA (0.43) PTP4A3PTP4A1CYP3A4TSHRALDH1A1
Acetic Acid SCHEMBL6833027 0.82 TSHR (0.40) PTP4A3PTP4A1CYP3A4TSHRALDH1A1
Vinyl Chloride SCHEMBL10416732 0.82 CYP3A4 (0.38) PTP4A3PTP4A1CYP3A4TSHRALDH1A1
Methacrylic Acid SCHEMBL28076367 0.81 TSHR (0.41) PTP4A3PTP4A1CYP3A4TSHRALDH1A1
Acrylonitrile SCHEMBL5155272 0.81 ALDH1A1 (0.55) PTP4A1TSHRALDH1A1MAPTSMN1; SMN2
Acrylonitrile SCHEMBL276892 0.80 TSHR (0.43) PTP4A3PTP4A1CYP3A4TSHRALDH1A1
Phosphoric Acid SCHEMBL10596597 0.80 PKM (0.39) PTP4A3PTP4A1CYP3A4TSHRALDH1A1
Acrylic Acid SCHEMBL28076521 0.80 TSHR (0.40) PTP4A3PTP4A1CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343840-B2 Particulate polymers, their production and uses CIBA SPEC CHEM WATER TREAT LTD (GB) 2002-07-10 EP disclosed
EP-0343840-B1 Particulate polymers, their production and uses ALLIED COLLOIDS LTD (GB) 1996-12-18 EP disclosed
EP-0343840-A2 Particulate polymers, their production and uses Ciba Specialty Chemicals Water Treatments Limited (GB) 1989-11-29 EP disclosed