SCHEMBL20100364

SCHEMBL20100364

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
PKM P14618 1/20 0.31
PTK2B Q14289 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
SCHEMBL20100392 0.88 ALDH1A1 (0.31) SMN1; SMN2
SCHEMBL20100361 0.81 TSHR (0.40) ALOX15TSHRCYP1A2PKMPTK2B
SCHEMBL20100317 0.77 TSHR (0.39) TP53HPGDSMN1; SMN2ALOX15TSHR
SCHEMBL17249947 0.73 ALDH1A1 (0.33) TSHR
SCHEMBL13922298 0.71 PSEN1 (0.30)
SCHEMBL20100302 0.71 CYP1A2 (0.38) SMN1; SMN2CYP1A2PKMPTK2B
SCHEMBL892207 0.71 TSHR (0.32) SMN1; SMN2TSHR
SCHEMBL20100339 0.70 CYP1A2 (0.30) CYP1A2PKMPTK2B
SCHEMBL891640 0.70
SCHEMBL18233436 0.69 GAA (0.40) TSHRCYP1A2

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