SCHEMBL7109247

SCHEMBL7109247

CCCC[Sn](CCC#N)(CCCC)CCCC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 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
Water SCHEMBL3700992 0.81 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL135552 0.78 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL28438742 0.78 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL2430231 0.77 TSHR (0.43) TSHRALDH1A1
SCHEMBL14915466 0.75 TSHR (0.31) TSHR
SCHEMBL3577655 0.74 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL2139803 0.74 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL863480 0.74 TSHR (0.43) TSHRALDH1A1TDP1
Iodide SCHEMBL6657020 0.74 TSHR (0.43) TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL336735 0.74 TSHR (0.43) TSHRALDH1A1TDP1

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-20030199663-A1 Delayed action tin catalysts CROMPTON GMBH (DE) 2003-10-23 US disclosed
EP-1354903-A1 Delayed action tin catalysts Crompton GmbH (DE) 2003-10-22 EP disclosed