SCHEMBL20100325

SCHEMBL20100325

C=C(C)C(=O)OCC(=O)N(C(=O)C(F)(F)F)C1(CC)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20100377 0.71
SCHEMBL20100293 0.69 TSHR (0.42) THRBTSHRALDH1A1
SCHEMBL6279549 0.66 THRB (0.57) THRBTSHRALDH1A1
SCHEMBL15396937 0.65 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL4194278 0.64 THRB (0.38) THRBTSHRALDH1A1
Chloromethane SCHEMBL17453350 0.64 THRB (0.59) THRBTSHRALDH1A1
Hydrogen Sulfide SCHEMBL11505632 0.64 THRB (0.59) THRBTSHRALDH1A1
SCHEMBL19409375 0.63 THRB (0.64) THRBTSHRALDH1A1
SCHEMBL15030 0.63
SCHEMBL4199462 0.63 THRB (0.37) THRBTSHRALDH1A1

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-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed