SCHEMBL20100317

SCHEMBL20100317

C=C(C)C(=O)OCC(=O)NC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
CA2 P00918 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
SCHEMBL20100361 0.84 TSHR (0.40) TSHRALDH1A1THRBALOX15
SCHEMBL20100392 0.84 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2POLBCA2
SCHEMBL20100364 0.77 TP53 (0.33) TSHRALOX15SMN1; SMN2TP53HPGD
SCHEMBL20100440 0.73 ALDH1A1 (0.45) ALDH1A1
SCHEMBL9704499 0.72 TSHR (0.54) TSHRALDH1A1THRBPOLB
SCHEMBL12447351 0.72 ALDH1A1 (0.47) TSHRALDH1A1THRBSMN1; SMN2POLB
SCHEMBL18656239 0.71 THRB (0.46) TSHRALDH1A1THRBSMN1; SMN2HPGD
SCHEMBL20100291 0.69 CA2 (0.40) ALDH1A1SMN1; SMN2POLBCA2
SCHEMBL28641912 0.69 TSHR (0.50) TSHRALDH1A1THRBPOLBCA2
SCHEMBL5098395 0.68 TSHR (0.54) TSHRALDH1A1THRBPOLB

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 4 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-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
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed