SCHEMBL27466003

SCHEMBL27466003

C=C(C#N)C#N.C=C(C)C#N

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.79
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
SCHEMBL6530240 0.89 TDP1 (0.60) TDP1CYP1A2
SCHEMBL10789863 0.89
SCHEMBL14868 0.89
Water SCHEMBL11786429 0.89
SCHEMBL9859678 0.89 TDP1 (1.00) TDP1CYP1A2
Hydrochloric Acid SCHEMBL10535007 0.85
Methyl Alcohol SCHEMBL9550434 0.85
Ethylene SCHEMBL1897636 0.85
SCHEMBL9331295 0.85
SCHEMBL27766490 0.85

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
CN-1131280-C Polyacetal resin composition POLYPLASTICS CO (JP) 2003-12-17 CN disclosed
CN-1200752-A Polyacetal resin composition POLYPLASTICS CO (JP) 1998-12-02 CN disclosed