SCHEMBL8206350

SCHEMBL8206350

C=C(C)C#N.C=C(C)CS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 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
SCHEMBL395642 0.85 HSD17B10 (0.35) TDP1
SCHEMBL26701 0.85
SCHEMBL28190664 0.83
Ammonia Solution, Strong SCHEMBL1434426 0.83
Hydrochloric Acid SCHEMBL11756525 0.83
SCHEMBL30582492 0.83
SCHEMBL28190656 0.83
SCHEMBL127251 0.83
Acrylonitrile SCHEMBL6536196 0.81 ALDH1A1 (0.36) CYP1A2
SCHEMBL16563263 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114068-A SUITABLE AS AN ELECTROLYTE FOR VARIOUS ELECTRONIC DEVICES SUCH AS LITHIUM PRIMARY BATTERIES, LITHIUM SECONDARY BATTERIES, AND ELECTRIC DOUBLE LAYER CAPACITORS MITSUBISHI RAYON CO., LTD. (JP) 2000-09-05 US disclosed