SCHEMBL9908342

SCHEMBL9908342

CC(CC1CCCC1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
SIGMAR1 Q99720 2/20 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
SCHEMBL9908337 0.98 CYP1A2 (0.39) CYP1A2THRATHRBPDK1PDK2
SCHEMBL9908336 0.95 THRA (0.31) CYP1A2THRATHRB
SCHEMBL17070180 0.80 CYP1A2 (0.36) CYP1A2THRATHRBPDK1PDK2
SCHEMBL692846 0.79 CYP1A2 (0.33) CYP1A2SIGMAR1
SCHEMBL17070164 0.78 CYP1A2 (0.39) CYP1A2THRATHRBPDK1PDK2
SCHEMBL22788484 0.78 LIPA (0.37) THRATHRB
SCHEMBL13464765 0.77 CYP1A2 (0.42) CYP1A2PDK1PDK2PDK3PDK4
SCHEMBL16825252 0.77 CYP1A2 (0.37) CYP1A2SIGMAR1
SCHEMBL1643889 0.75 CYP1A2 (0.43) CYP1A2THRATHRBSIGMAR1
SCHEMBL14209302 0.75 CYP1A2 (0.31) CYP1A2PDK1PDK2PDK3PDK4

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-8198016-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20090286188-A1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-19 US disclosed