Acrylonitrile

Acrylonitrile

SCHEMBL8475229

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL112876 0.87 TSHR (0.42) TSHRALDH1A1MGAMGAASI
SCHEMBL27536885 0.86 TSHR (0.41) TSHRALDH1A1MGAMGAASI
SCHEMBL1024183 0.86 TSHR (0.41) TSHRALDH1A1MGAMGAASI
SCHEMBL28487160 0.86 TSHR (0.41) TSHRALDH1A1MGAMGAASI
Acrylamide SCHEMBL28231388 0.84 TSHR (0.35) TSHRALDH1A1MGAMGAASI
Methacrylic Acid SCHEMBL25423391 0.83 TSHR (0.39) TSHRALDH1A1MGAMGAASI
SCHEMBL27860833 0.83 ALDH1A1 (0.52) TSHRALDH1A1MGAMGAASI
Methacrylic Acid SCHEMBL28060384 0.83 TSHR (0.39) TSHRALDH1A1MGAMGAASI
SCHEMBL9160879 0.82 TSHR (0.47) TSHRALDH1A1MGAMGAASI
SCHEMBL22578575 0.81 TDP1 (0.40) TSHRALDH1A1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912281-A COATINGS FOR SUBSTRATES FOR WATER RESISTANCE OF INKS, ALKALINE RESISTANCE AND DISPERSIBILITY EASTMAN CHEMICAL COMPANY (US) 1999-06-15 US disclosed
WO-1998002491-A1 AQUEOUS DISPERSION EASTMAN CHEMICAL COMPANY (US) 1998-01-22 WO disclosed