SCHEMBL19441759

SCHEMBL19441759

FC(F)(F)c1cc(-[n+]2ccc(-c3cc[n+](-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.40
▸ RXRB P28702 3/20 0.40
▸ RXRG P48443 2/20 0.40
▸ KIF11 P52732 6/20 0.37
▸ CES2 O00748 1/20 0.35
▸ P2RX1 P51575 2/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL17996987 0.89 RAPGEF4 (0.38) RXRARXRBRXRGKIF11P2RX1
SCHEMBL10005293 0.82 TSHR (0.44) KIF11CES2IDO1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL14937435 0.80 TSHR (0.42) KIF11CES2IDO1NOS3NOS2
SCHEMBL19892477 0.80 KIF11 (0.48) KIF11CES2ALDH1A1TSHR
SCHEMBL17996978 0.74 MEN1 (0.43) KIF11CES2TSHR
SCHEMBL29738945 0.72 SLC22A2 (0.42) RXRARXRBRXRG
SCHEMBL19888148 0.72 BCHE (0.41) KIF11ALDH1A1TSHR
SCHEMBL440959 0.69 CES2 (0.58) RXRARXRBRXRGKIF11CES2
Hydrochloric Acid SCHEMBL17583796 0.68 CES2 (0.31) CES2
SCHEMBL9482063 0.67 RXRA (0.54) RXRARXRBRXRGKIF11CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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