SCHEMBL17996987

SCHEMBL17996987

Cc1cc(C)cc(-[n+]2ccc(-c3cc[n+](-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 2/20 0.38
▸ RXRA P19793 4/20 0.34
▸ RXRB P28702 4/20 0.34
▸ RXRG P48443 3/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ GRIN2B Q13224 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ P2RX1 P51575 1/20 0.31
▸ TMPRSS4 Q9NRS4 1/20 0.31

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
SCHEMBL19441759 0.89 RXRA (0.40) RXRARXRBRXRGKIF11P2RX1
Hydrochloric Acid SCHEMBL3145406 0.81 ALDH1A1 (0.33) RXRARXRB
SCHEMBL7196197 0.80 SLC22A2 (0.32) RXRARXRB
SCHEMBL17996978 0.79 MEN1 (0.43) RAPGEF4KIF11IKBKB
SCHEMBL29738939 0.76 SLC22A2 (0.46) —
SCHEMBL19888148 0.75 BCHE (0.41) MAPTKIF11
SCHEMBL10005293 0.73 TSHR (0.44) NOTUMMAPTKIF11
Hydrochloric Acid SCHEMBL14937435 0.71 TSHR (0.42) NOTUMMAPTKIF11
SCHEMBL19892477 0.71 KIF11 (0.48) KIF11
SCHEMBL24518592 0.70 RXRA (0.48) RAPGEF4RXRARXRBRXRGNOTUM

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
Send feedback