SCHEMBL6204909

SCHEMBL6204909

CC(C)COC(=O)C(C1C2C=CC(C2)C1(F)F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 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
SCHEMBL6203729 0.73 NPC1 (0.33) NPC1TSHRRAB9A
SCHEMBL6683079 0.71 TSHR (0.34) NPC1TSHRRAB9A
SCHEMBL6681725 0.71 NPC1 (0.32) NPC1TSHRRAB9A
SCHEMBL6204718 0.68 NPC1 (0.32) NPC1TSHRRAB9A
SCHEMBL6203547 0.64 EPHX2 (0.34)
SCHEMBL6204906 0.63 EPHX2 (0.31)
SCHEMBL6202689 0.63 CYP2D6 (0.33)
SCHEMBL6682537 0.62 TSHR (0.42) NPC1TSHRRAB9A
SCHEMBL1196057 0.61 ALDH1A1 (0.49) NPC1TSHRRAB9A
SCHEMBL30901541 0.61 POLB (0.42) NPC1TSHRRAB9A

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