SCHEMBL5513401

SCHEMBL5513401

Nc1cc(O)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
CA14 Q9ULX7 4/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
FFAR4 Q5NUL3 1/20 0.41
HSD17B3 P37058 1/20 0.41
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
APP P05067 1/20 0.39
AR P10275 3/20 0.38
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL9853137 0.83 ESR2 (0.45) KIF11CA14CA12CA1CA2
SCHEMBL29396798 0.82 FFAR4 (0.53) KIF11CA14CA12CA1CA2
SCHEMBL282399 0.82 FFAR4 (0.53) KIF11CA14CA12CA1CA2
SCHEMBL30368360 0.78 KIF11 (0.52) KIF11HSD17B3APPARHSD17B1
SCHEMBL3022860 0.78 KIF11 (0.52) KIF11HSD17B3APPARHSD17B1
SCHEMBL2965024 0.77 ALDH1A1 (0.56) CA14CA12CA1CA2CA7
SCHEMBL8908337 0.77 CA14 (0.46) CA14CA12CA1CA2CA7
SCHEMBL10933172 0.77 CA14 (0.52) KIF11CA14CA12CA1CA2
SCHEMBL4184980 0.76 KIF11 (0.50) KIF11CA14CA12CA1CA2
SCHEMBL711538 0.76 TSHR (0.60) KIF11CA14CA12CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111766727-A Polyimide substrate for flexible liquid crystal display and preparation method thereof 浙江中科玖源新材料有限公司 2020-10-13 CN claimed
CN-111766727-A Polyimide substrate for flexible liquid crystal display and preparation method thereof 浙江中科玖源新材料有限公司 2020-10-13 CN disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 US disclosed