SCHEMBL28391981

SCHEMBL28391981

C=C[Si](C)(C)OCCCC#N

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7052818 0.76 TSHR (0.42) TSHRALDH1A1
SCHEMBL537953 0.74 TSHR (0.39) TSHRALDH1A1
SCHEMBL11741110 0.72 TSHR (0.39) TSHRALDH1A1
SCHEMBL7931500 0.72 TSHR (0.36) TSHRALDH1A1
SCHEMBL28389135 0.71 DUT (0.37) TSHR
SCHEMBL16543985 0.71 TSHR (0.39) TSHRALDH1A1
SCHEMBL1585591 0.71 TSHR (0.37) TSHR
SCHEMBL919225 0.71 TSHR (0.39) TSHRALDH1A1
SCHEMBL18920319 0.70 TSHR (0.40) TSHRALDH1A1
SCHEMBL1260598 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108987804-B Application of nitrile compound containing siloxane group in battery electrolyte 石家庄圣泰化工有限公司 2020-08-04 CN claimed
CN-108987804-B Application of nitrile compound containing siloxane group in battery electrolyte 石家庄圣泰化工有限公司 2020-08-04 CN disclosed
CN-108586518-B Synthesis method of nitrile compound containing siloxane group 石家庄圣泰化工有限公司 2020-04-07 CN disclosed