SCHEMBL13522015

SCHEMBL13522015

C=C(C)C(=O)OCCC1(C(=O)OC2(CC(C)C)C3CC4CC(C3)CC2C4)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.34
THRB P10828 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
SCHEMBL13521894 0.84 TSHR (0.41) TSHRMAPK1THRB
SCHEMBL4399185 0.80 TSHR (0.39) TSHR
SCHEMBL10136380 0.80 TSHR (0.37) TSHRTHRB
SCHEMBL685555 0.79 TSHR (0.40) TSHR
SCHEMBL16937558 0.79 TSHR (0.35) TSHRTHRB
SCHEMBL13522018 0.74 TSHR (0.38) TSHRMAPK1THRB
SCHEMBL13522017 0.74 MEN1 (0.31) MAPK1THRB
SCHEMBL10216857 0.73 TSHR (0.33) TSHR
SCHEMBL12503449 0.71 TSHR (0.31) TSHR
SCHEMBL3415852 0.71 THRB (0.41) TSHRTHRB

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-8298746-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20100010129-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-14 US disclosed