Acrylonitrile

Acrylonitrile

SCHEMBL5155272

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

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TSHR P16473 2/20 0.55
CYP2C9 P11712 1/20 0.43
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GLO1 Q04760 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 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 SCHEMBL3420296 0.85 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9MAPTKMT2A
Butadiene SCHEMBL8997293 0.84 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MAPTKMT2A
Water SCHEMBL28125205 0.83 ALDH1A1 (0.56) ALDH1A1TSHRCYP2C9MAPTKMT2A
Water SCHEMBL28125207 0.83 ALDH1A1 (0.56) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL36941 0.83
Acrylonitrile SCHEMBL8443593 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
Acrylonitrile SCHEMBL10893622 0.83 ALDH1A1 (0.81) ALDH1A1TSHRCYP2C9MAPTKMT2A
Acrylonitrile SCHEMBL7753831 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
Acrylic Acid SCHEMBL1665309 0.82 ALDH1A1 (0.45) ALDH1A1TSHRMAPTKMT2AMEN1
Vinyl Chloride SCHEMBL8742430 0.82 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C9MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835296-B1 DRILLING COMPOSITIONS AND METHODS HALLIBURTON ENERGY SERV INC (US) 2007-12-19 EP disclosed
US-6153669-A Drilling compositions and methods BAROID DRILLING FLUIDS, INC. (US) 2000-11-28 US disclosed
US-6110876-A NON-POLYAMPHOLITE CROSSLINKED POLYMERS AND GELS BASED ON A POLYMER WHICH IN UNCROSSLINKED FORM IS SUBSTANTIALLY SOLUBLE IN IONIC FLUIDS AND INSOLUBLE IN WATER; POLYMERS COLLAPSE (DEHYDRATE) IN RESPONSE TO ENVIRONMENTAL TRIGGERS BAROID DRILLING FLUIDS, INC. (US) 2000-08-29 US disclosed
US-5888943-A INTRODUCING A HYDRATED GEL INTO THE STRATUM TO BLOCK THE PORES, EXPOSING THE GEL TO AN ENVIRONMENTAL CONDITION SELECTED TO LOWER THE STATE OF HYDRATION OF GEL WHEREBY GEL DECREASES IN VOLUME AND UNBLOCKS THE PORE BAROID DRILLING FLUIDS, INC. (US) 1999-03-30 US disclosed
EP-0835296-A1 DRILLING COMPOSITIONS AND METHODS Gel Sciences, Inc. (US) 1998-04-15 EP disclosed
WO-1997002330-A1 DRILLING COMPOSITIONS AND METHODS GEL SCIENCES, INC. (US) 1997-01-23 WO disclosed