SCHEMBL6683079

SCHEMBL6683079

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 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
SCHEMBL6680656 0.79 MAPK1 (0.33)
SCHEMBL13525787 0.76 ALDH1A1 (0.32) LMNA
SCHEMBL6681725 0.72 NPC1 (0.32) TSHRRAB9ANPC1
SCHEMBL6204718 0.72 NPC1 (0.32) TSHRRAB9ANPC1
SCHEMBL6204909 0.71 NPC1 (0.31) TSHRRAB9ANPC1
SCHEMBL6677993 0.70 LMNA (0.37) TSHRRAB9ALMNA
SCHEMBL6682537 0.69 TSHR (0.42) TSHRRAB9ANPC1LMNA
SCHEMBL1196057 0.68 ALDH1A1 (0.49) TSHRRAB9ANPC1LMNA
SCHEMBL6203548 0.68
SCHEMBL6204906 0.67 EPHX2 (0.31)

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-20030232276-A1 Polymers derived from fluoroalkyl norbornenes, fluorinated crotonates, and/or fluorinated allyl alcohols; Diels Alder reaction of a fluorinated crotonate with cyclopentadiene to form said norbornene; photoresists; dielectrics, light guides HONEYWELL INTERNATIONAL INC. 2003-12-18 US claimed
EP-1476788-A2 FLUORINATED MOLECULES AND METHODS OF MAKING AND USING SAME Honeywell International Inc. (US) 2004-11-17 EP disclosed
US-20030232276-A1 Polymers derived from fluoroalkyl norbornenes, fluorinated crotonates, and/or fluorinated allyl alcohols; Diels Alder reaction of a fluorinated crotonate with cyclopentadiene to form said norbornene; photoresists; dielectrics, light guides HONEYWELL INTERNATIONAL INC. 2003-12-18 US disclosed
WO-2003073169-A2 FLUORINATED MOLECULES AND METHODS OF MAKING AND USING SAME HONEYWELL INTERNATIONAL INC. (US) 2003-09-04 WO disclosed