SCHEMBL20100361

SCHEMBL20100361

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CYP1A2 P05177 1/20 0.30
PKM P14618 1/20 0.30
PTK2B Q14289 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
SCHEMBL20100317 0.84 TSHR (0.39) TSHRALDH1A1THRBALOX15
SCHEMBL20100364 0.81 TP53 (0.33) TSHRALOX15CYP1A2PKMPTK2B
SCHEMBL17589180 0.75 TSHR (0.47) TSHRALDH1A1THRBATM
SCHEMBL9704499 0.74 TSHR (0.54) TSHRALDH1A1THRBGAAMAPT
SCHEMBL20100360 0.72 TDP1 (0.56) ALDH1A1ALOX15MEN1MAPTKMT2A
SCHEMBL18656239 0.72 THRB (0.46) TSHRALDH1A1THRBPKM
SCHEMBL15807755 0.71 THRB (0.46) TSHRALDH1A1THRBMEN1MAPT
SCHEMBL396824 0.70 TSHR (0.50) TSHRALDH1A1THRBKMT2A
SCHEMBL5098395 0.69 TSHR (0.54) TSHRALDH1A1THRBGAAMAPT
SCHEMBL21313125 0.69 TSHR (0.54) TSHRALDH1A1THRBGAAMAPT

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