SCHEMBL27698347

SCHEMBL27698347

C/C=C\CC#N.CC/C=C/C#N

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65

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
SCHEMBL27791384 1.00 TSHR (0.65) TSHR
SCHEMBL6636316 0.85 TSHR (0.47) TSHR
SCHEMBL6634817 0.85 TSHR (0.47) TSHR
SCHEMBL6636323 0.85 TSHR (0.47) TSHR
SCHEMBL6634820 0.85 TSHR (0.47) TSHR
SCHEMBL27918573 0.81 TSHR (0.36) TSHR
SCHEMBL155326 0.81
SCHEMBL155325 0.81
SCHEMBL57531 0.81
SCHEMBL215673 0.81

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-100376548-C Method for making nitrile compounds from ethylenically unsaturated compounds PHODIA POLYAMIDE INTERMEDIATES (FR) 2008-03-26 CN disclosed