SCHEMBL27997142

SCHEMBL27997142

CC(C#N)CC(C)(C#N)N=NC(C)(C#N)CC(C)C#N

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34

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
SCHEMBL9440352 0.85
SCHEMBL9324783 0.85
SCHEMBL26739247 0.81
SCHEMBL14898 0.81
SCHEMBL14897 0.81
SCHEMBL27970435 0.81
SCHEMBL8656922 0.81
Hydrochloric Acid SCHEMBL9811927 0.79
Hydrochloric Acid SCHEMBL9811924 0.79
Hydrogen Peroxide SCHEMBL11529670 0.77

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-104231172-A Preparation method of DIHP (Dihexylphthalate) molecularly imprinted solid phase extraction column filling material LIU XIUZHU 2014-12-24 CN disclosed