Acrylonitrile

Acrylonitrile

SCHEMBL10487231

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

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6027010 0.90 HSD17B10 (0.36) ALOX15HSD17B10
SCHEMBL6062190 0.88 HSD17B10 (0.35) ALOX15HSD17B10
Methacrylic Acid SCHEMBL9811722 0.86 HSD17B10 (0.34) ALOX15HSD17B10
Acrylonitrile SCHEMBL2119792 0.86 ALDH1A1 (0.39) ALOX15HSD17B10
Acrylic Acid SCHEMBL8901064 0.85 HSD17B10 (0.46) ALOX15HSD17B10
Methacrylic Acid SCHEMBL16894604 0.84 ALOX15 (0.35) ALOX15HSD17B10
Acrylonitrile SCHEMBL4634167 0.83 TDP1 (0.41) ALOX15HSD17B10
Acrylonitrile SCHEMBL8743878 0.83 ALOX15 (0.36) ALOX15HSD17B10
Acrylonitrile SCHEMBL707051 0.82 ALDH1A1 (0.43)
Acrylonitrile SCHEMBL11323805 0.82 ALDH1A1 (0.43)

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
US-4889636-A HYDROPHILIC, CROSSLINKED POLYMERIC FILM CHEMICALLY BONDED TO POLYMERIC SUPPORT OPTIONALLY CROSSLINKED; DYNAMIC, BIFURCATED, SOLVENT AND COMPACTION RESISTANCE ALIGENA, AG 1989-12-26 US disclosed
US-4659474-A CROSSLINKING THIN POLYMER LAYER DEPOSITED ON POROUS SUBSTRATE ALIGENA AG (CH) 1987-04-21 US disclosed
US-4584103-A REACTING WITH HYDROXYLAMINE, THEN DIFUNCTIONAL COMPOUND AND COMPOUND CONTAINING IONIZABLE GROUP ALIGENA AG (CH) 1986-04-22 US disclosed
EP-0135630-A1 Amidoxime derivatives, processes for the preparation thereof and uses therefor RESEARCH PRODUCTS REHOVOT LTD. (IL) 1985-04-03 EP disclosed
US-4477634-A Modified acrylonitrile polymer containing semipermeable membranes ALIGENA AG (CH) 1984-10-16 US disclosed
US-4413999-A CHROMATOGRAPHY, BIOCHEMICAL IMMOBILIZATION, FIBER REACTIVE DYES RESEARCH PRODUCTS REHOVOT LTD. (IL) 1983-11-08 US disclosed