SCHEMBL6202689

SCHEMBL6202689

CC(C)COC(=O)C(C)C1(C(F)(F)F)CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6203725 0.79 EPHX2 (0.33) CYP2D6CYP2C19
SCHEMBL6202686 0.74 EPHX2 (0.36)
SCHEMBL21725572 0.74 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL6203548 0.73
SCHEMBL22871191 0.72 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL1451060 0.71 CETP (0.37) CYP2D6CYP2C19
SCHEMBL6202679 0.68 EPHX2 (0.31)
SCHEMBL11672839 0.68 ALDH1A1 (0.32) CYP2D6CYP2C19
SCHEMBL6204906 0.67 EPHX2 (0.31)
SCHEMBL6203541 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501877-A1 FLUORINATED POLYMERS Honeywell International Inc. (US) 2005-02-02 EP claimed
US-20040126695-A1 Fluorinated polymers HONEYWELL INTERNATIONAL, INC. 2004-07-01 US claimed
WO-2003095505-A1 FLUORINATED POLYMERS HONEYWELL INTERNATIONAL INC. (US) 2003-11-20 WO claimed
EP-1501877-A1 FLUORINATED POLYMERS Honeywell International Inc. (US) 2005-02-02 EP disclosed
US-20040126695-A1 Fluorinated polymers HONEYWELL INTERNATIONAL, INC. 2004-07-01 US disclosed
WO-2003095505-A1 FLUORINATED POLYMERS HONEYWELL INTERNATIONAL INC. (US) 2003-11-20 WO disclosed