SCHEMBL17997002

SCHEMBL17997002

COc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(OC(F)(F)F)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.41
GRIN2B Q13224 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR6 P51684 1/20 0.40
KIF11 P52732 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL18012042 0.91 KIF11 (0.41) KIF11ALDH1A1CA12CA9
SCHEMBL17996980 0.86 CA1 (0.50) L3MBTL1BCHEACHENPC1RAB9A
SCHEMBL17996998 0.83 ACHE (0.41) GRIN2BBCHEACHENPC1RAB9A
SCHEMBL2084265 0.82 KIF11 (0.53) CHRNA7GRIN2BL3MBTL1CCR6KIF11
SCHEMBL19441777 0.81 MAPT (0.36) KIF11BCHEACHENPC1RAB9A
SCHEMBL514500 0.80 CA1 (0.58) CHRNA7GRIN2BL3MBTL1CCR6ACHE
SCHEMBL5157414 0.79 SLC22A2 (0.43) BCHEACHENPC1RAB9ACA12
SCHEMBL17996997 0.78 ACHE (0.46) GRIN2BCCR6BCHEACHENPC1
SCHEMBL16563188 0.78 KIF11 (0.33) KIF11ALDH1A1
SCHEMBL17996782 0.78 BCHE (0.38) GRIN2BKIF11BCHEACHENPC1

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-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 US disclosed
US-20230220274-A1 ELECTROCHROMIC SOLUTION ESSILOR INTERNATIONAL (FR) 2023-07-13 US disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 US disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 US disclosed
US-20160282694-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-09-29 US disclosed
US-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 US disclosed