SCHEMBL20100303

SCHEMBL20100303

C=C(C(=O)NC(=O)C(C)(C)CC)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.38
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 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
SCHEMBL20100302 0.80 CYP1A2 (0.38) LMNAALDH1A1GAAL3MBTL1
SCHEMBL20100319 0.79 RIPK1 (0.41) RIPK1LMNAPOLBALDH1A1GAA
SCHEMBL13656146 0.78 EPHX1 (0.39) RIPK1LMNAPOLBALDH1A1GAA
SCHEMBL20100393 0.78 CA2 (0.42) POLBALDH1A1
SCHEMBL14428590 0.75 RIPK1 (0.45) RIPK1LMNAPOLBALDH1A1GAA
SCHEMBL20100476 0.74 RIPK1 (0.43) RIPK1LMNAPOLBALDH1A1GAA
SCHEMBL19880760 0.74 FAAH (0.31)
SCHEMBL20100338 0.74 S1PR1 (0.30)
SCHEMBL14795033 0.70 TGM2 (0.36) EPHX1
SCHEMBL6886083 0.70 MMP1 (0.38) POLBALDH1A1EPHX1

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