SCHEMBL8943642

SCHEMBL8943642

O=C(CS)OCC(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8944030 0.81 ACE (0.30)
SCHEMBL60561 0.79 TSHR (0.43) TSHRHSD17B10ALDH1A1
SCHEMBL9521455 0.79 MGAM (0.43) ALDH1A1POLB
SCHEMBL7439614 0.79 ADRA2A (0.37) TSHRALDH1A1POLB
SCHEMBL10403259 0.77 ALDH1A1 (0.32) ALDH1A1POLB
SCHEMBL10403258 0.77 ALDH1A1 (0.32) ALDH1A1POLB
SCHEMBL2171695 0.77 TSHR (0.32) TSHRALDH1A1POLB
SCHEMBL3042462 0.75 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL10105403 0.75 TSHR (0.40) TSHRALDH1A1POLB
SCHEMBL6447039 0.75 NAAA (0.41) HSD17B10ALDH1A1POLB

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
US-5587475-A HAVING FUNCTIONALIZED SIDE CHAIN CONTAINING THIOETHER LINKAGE AND REACTIVE CARBOXYLATE GROUP UNIVERSITY OF NOTRE DAME (US) 1996-12-24 US claimed