SCHEMBL13829093

SCHEMBL13829093

O=C(O)C1(C(F)(F)F)C2C=CC(C2)C1(F)F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL13525785 0.85 HTT (0.31) HTTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL14567552 0.80 LMNA (0.31) HTTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL18559774 0.76 PDK2 (0.30)
SCHEMBL7698925 0.72 GRM2 (0.31)
SCHEMBL13829086 0.72
SCHEMBL885544 0.68 HTT (0.30) HTTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL5369870 0.68
SCHEMBL199897 0.67
SCHEMBL6685650 0.66
SCHEMBL12628447 0.66

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-20120288796-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-20120288796-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-15 US disclosed