SCHEMBL4424554

SCHEMBL4424554

CC(C)(C)c1ccc2c(c1)C([Zr](C1=CC=CC1)=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES2 O00748 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
SCHEMBL6047534 0.92 TRPV1 (0.32) CES2
SCHEMBL4427778 0.91 ACHE (0.30) CES2
Hydrochloric Acid SCHEMBL812045 0.91 TRPV1 (0.32) CES2
SCHEMBL6226515 0.91 CES2 (0.36) CES2
Hydrochloric Acid SCHEMBL812496 0.90 CES2 (0.35) CES2
SCHEMBL4433941 0.88 ACHE (0.34) CES2
SCHEMBL6228825 0.88 MEN1 (0.30)
Hydrochloric Acid SCHEMBL811711 0.86
SCHEMBL4431142 0.86 CES2 (0.31) CES2
SCHEMBL2803241 0.85 ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2080784-B1 PROPYLENE RESIN COMPOSITION, METHOD FOR PRODUCING PROPYLENE RESIN COMPOSITION, PROPYLENE POLYMER COMPOSITION, MOLDED BODY MADE OF THE PROPYLENE RESIN COMPOSITION, AND ELECTRIC WIRE MITSUI CHEMICALS INC (JP) 2013-03-06 EP disclosed
EP-2080784-A1 PROPYLENE RESIN COMPOSITION, METHOD FOR PRODUCING PROPYLENE RESIN COMPOSITION, PROPYLENE POLYMER COMPOSITION, MOLDED BODY MADE OF THE PROPYLENE RESIN COMPOSITION, AND ELECTRIC WIRE Mitsui Chemicals, Inc. (JP) 2009-07-22 EP disclosed