Trichloroethane

Trichloroethane

SCHEMBL28474125

CC(Cl)(Cl)Cl.ClC1=CCC(Cl)(c2ccccc2)C=C1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRM1 P35372 1/20 0.31
GRIN1 Q05586 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL510772 0.91
Acetic Acid SCHEMBL28298443 0.85 OPRM1 (0.35) OPRM1
SCHEMBL27534066 0.75 OPRM1 (0.32) OPRM1
SCHEMBL27715518 0.72 MAOB (0.31)
SCHEMBL5546780 0.70
SCHEMBL9951675 0.70
SCHEMBL28688676 0.69
SCHEMBL6562524 0.69 CYP1A2 (0.39) OPRM1
SCHEMBL7909638 0.68 OPRL1 (0.33)
SCHEMBL5946661 0.63

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
CN-107661752-B Graphene oxide/Prussian blue nanoparticle composite material solid-phase microextraction probe and preparation method and application thereof 中山大学 2020-07-24 CN disclosed