SCHEMBL17997003

SCHEMBL17997003

CC(C)c1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3C(C)(C)C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CA2 P00918 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 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
SCHEMBL17996795 0.87 CA2 (0.41) ALDH1A1CA2TSHRTDP1GABRA1
SCHEMBL17996995 0.87 GABRA1 (0.40) ALDH1A1CYP3A4CA2TSHRGABRA1
SCHEMBL20365814 0.85 GABRA1 (0.39) ALDH1A1CYP3A4CA2TSHRGABRA1
Hydrochloric Acid SCHEMBL16563090 0.85 CA2 (0.40) ALDH1A1CA2TSHRTDP1GABRA1
SCHEMBL17996993 0.79 BCHE (0.36) ALDH1A1CYP3A4CA2TSHRGABRA1
SCHEMBL17996799 0.79 ACHE (0.36) ALDH1A1CYP3A4CA2TSHRGABRA1
SCHEMBL17996807 0.79 SLC22A2 (0.35) ALDH1A1CA2TSHRTDP1
SCHEMBL18373526 0.78 CA1 (0.40) CYP3A4CA2TSHRGABRA1GABRB2
SCHEMBL17997008 0.78 BCHE (0.38) ALDH1A1CYP3A4CYP2C19CA2TSHR
Hydrochloric Acid SCHEMBL16563083 0.76 KIF11 (0.42) ALDH1A1CA2TSHRTDP1

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 11 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-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-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-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-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
US-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 — — US disclosed
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