SCHEMBL21784595

SCHEMBL21784595

C=CCCCC(C=C)CSC

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL21784466 0.79 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL1201129 0.77 TSHR (0.46) TSHRALDH1A1
SCHEMBL28906281 0.76 TSHR (0.56) TSHRALDH1A1
SCHEMBL28906289 0.76 TSHR (0.50) TSHRALDH1A1
SCHEMBL8835292 0.73 TSHR (0.35) TSHRALDH1A1
SCHEMBL212488 0.70 TSHR (0.39) TSHRALDH1A1
SCHEMBL2229257 0.69
SCHEMBL1453932 0.68
SCHEMBL6278744 0.68 TSHR (0.67) TSHRALDH1A1
SCHEMBL29031770 0.68 TSHR (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020043517-A1 POLYMERS OF A COMPOUND COMPRISING A MONOTHIOCARBONATE GROUP AND AN ETHYLENICALLY UNSATURATED GROUP BASF SE (DE) 2020-03-05 WO disclosed