SCHEMBL22200071

SCHEMBL22200071

C=C[Si](CC)(CC)CCC#N

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22200074 0.87 TSHR (0.41) ALDH1A1TSHR
SCHEMBL22200072 0.85 TSHR (0.39) ALDH1A1TSHR
SCHEMBL22200085 0.84 TSHR (0.37) ALDH1A1TSHR
SCHEMBL29224789 0.81 ALDH1A1 (0.40) ALDH1A1TSHRTDP1
SCHEMBL22200080 0.81 TSHR (0.44) ALDH1A1TSHR
SCHEMBL22200078 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29224784 0.74 TSHR (0.40) ALDH1A1TSHRTDP1
SCHEMBL22200082 0.72 TSHR (0.50) ALDH1A1TSHR
SCHEMBL22200081 0.72 TSHR (0.44) ALDH1A1TSHR
SCHEMBL11481556 0.72 TSHR (0.32) TSHR

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
EP-3686983-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE Mitsubishi Chemical Corporation (JP) 2020-07-29 EP disclosed
US-20200220222-A1 NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2020-07-09 US disclosed