SCHEMBL9569900

SCHEMBL9569900

FC(F)(Oc1ccccc1)C(F)(F)C1(C2(C(F)(F)C(F)(F)Oc3ccccc3)OCCO2)OCCO1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR6 P51684 2/20 0.31
KCNH2 Q12809 2/20 0.31
DRD4 P21917 1/20 0.30
SSTR4 P31391 1/20 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
SCHEMBL9569845 0.83 NPC1 (0.33) ICMTNPC1GAARAB9ASMN1; SMN2
SCHEMBL9569896 0.72 SSTR4 (0.33) NPC1GAARAB9ASMN1; SMN2HSD17B10
SCHEMBL6000951 0.69 LTA4H (0.41) RAB9A
SCHEMBL9569843 0.68 GAA (0.36) NPC1GAARAB9ASMN1; SMN2HSD17B10
SCHEMBL9569850 0.68 DRD4 (0.35) CCR6KCNH2DRD4SSTR4
SCHEMBL6468423 0.68 LTA4H (0.39) RAB9A
Fluoride SCHEMBL28371495 0.67 KIF11 (0.46) RAB9ASMN1; SMN2CCR6KCNH2
SCHEMBL23825152 0.66 LTA4H (0.38) CCR6KCNH2
SCHEMBL821312 0.66 CA4 (0.40) CCR6KCNH2
SCHEMBL13039942 0.66 CA4 (0.40) CCR6KCNH2

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
US-5227500-A Halogenated 1,3-dioxolanes and derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-13 US disclosed
EP-0529741-A1 Procedure for the preparation of halogenated 1,3-dioxolanes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-03 EP disclosed
US-5057586-A Fluoropolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-15 US disclosed
US-4973714-A ADDITION POLYMERS, FLUOROPOLYMERS, HEAT RESISTANCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-27 US disclosed
US-4810806-A FROM A HALOETHYL CARBOXYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0301881-A1 Halogenated 1,3-dioxolanes and derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-01 EP disclosed