Acetonitrile

Acetonitrile

SCHEMBL9300100

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

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.37
EGLN1 Q9GZT9 5/20 0.36
LMNA P02545 4/20 0.35
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KDM5C P41229 2/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33

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
Acetonitrile SCHEMBL8744590 1.00 CTH (0.37) CTHEGLN1LMNALDHASRR
Water SCHEMBL11785766 0.85 LMNA (0.47) CTHEGLN1LMNALDHASRR
Water SCHEMBL11785760 0.85 LMNA (0.47) CTHEGLN1LMNALDHASRR
Water SCHEMBL9703549 0.85 LMNA (0.47) CTHEGLN1LMNALDHASRR
Water SCHEMBL27338844 0.85 LMNA (0.47) CTHEGLN1LMNALDHASRR
SCHEMBL27734665 0.84 MCL1 (0.36) CTHEGLN1LMNALDHASRR
Water SCHEMBL10705898 0.82 LMNA (0.44) CTHEGLN1LMNALDHASRR
Water SCHEMBL31231892 0.82 LMNA (0.44) CTHEGLN1LMNALDHASRR
Water SCHEMBL29897724 0.82 LMNA (0.44) CTHEGLN1LMNALDHASRR
Water SCHEMBL31016720 0.82 LMNA (0.44) CTHEGLN1LMNALDHASRR

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-5376503-A A photo-crosslinkable blends consisting of an isoolefin, a para-alkylstyrene and a photoinitiator substituted on the alkyl group of para-alkylstyrene monomers; corrosion, solvent resistance EXXON CHEMICAL PATENTS INC. (US) 1994-12-27 US disclosed
EP-0566682-A1 ENTANGLEMENT-INHIBITED MACROMOLECULES. EXXON CHEMICAL PATENTS INC (US) 1993-10-27 EP disclosed
EP-0563251-A1 UV/EB CURABLE BUTYL COPOLYMERS FOR LITHOGRAPHIC AND CORROSION-RESISTANT COATING APPLICATIONS EXXON CHEMICAL PATENTS INC. (US) 1993-10-06 EP disclosed
EP-0563271-A1 UV/EB CURABLE BUTYL COPOLYMERS FOR COATING APPLICATIONS EXXON CHEMICAL PATENTS INC. (US) 1993-10-06 EP disclosed
WO-1992011322-A2 UV/EB CURABLE BUTYL COPOLYMERS FOR LITHOGRAPHIC AND CORROSION-RESISTANT COATING APPLICATIONS EXXON CHEMICAL PATENTS INC. (US) 1992-07-09 WO disclosed
WO-1992011295-A1 UV/EB CURABLE BUTYL COPOLYMERS FOR COATING APPLICATIONS EXXON CHEMICAL PATENTS INC. (US) 1992-07-09 WO disclosed