SCHEMBL11748635

SCHEMBL11748635

C[Si](C)([O])CCCCC#N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL8084369 0.92
SCHEMBL8525813 0.81
SCHEMBL12677766 0.79 TSHR (0.46) TSHRALDH1A1TDP1MAPT
SCHEMBL11502617 0.76 TSHR (0.30) TSHR
SCHEMBL19418605 0.75 TSHR (0.42) TSHRALDH1A1TDP1MAPT
SCHEMBL12677771 0.75 TSHR (0.42) TSHRALDH1A1TDP1MAPT
SCHEMBL3418812 0.75 TSHR (0.42) TSHRALDH1A1TDP1MAPT
SCHEMBL12677768 0.75 TSHR (0.42) TSHRALDH1A1TDP1MAPT
SCHEMBL19418606 0.75 TSHR (0.42) TSHRALDH1A1TDP1MAPT
SCHEMBL22200073 0.75 TSHR (0.37) TSHRALDH1A1

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
US-4003847-A FOR FOAMING POLYETHERURETHANES; CYANOALKYL POLYSILOXANE; POLYETHER SOLVENT UNION CARBIDE CORPORATION (US) 1977-01-18 US disclosed
US-3952038-A CYANOALKYL MODIFIED SILOXANE FLUID UNION CARBIDE CORPORATION (US) 1976-04-20 US disclosed