SCHEMBL17298311

SCHEMBL17298311

Cc1cc(O)ccc1-[n+]1ccc(-c2cc[n+](-c3ccc(O)cc3C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 10/20 0.41
▸ ESR1 P03372 9/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HSD17B1 P14061 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ HSD17B2 P37059 1/20 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
Hydrochloric Acid SCHEMBL8640344 0.73 ALOX5 (0.40) ESR2ESR1ALOX15HSD17B1HSD17B2
SCHEMBL19888150 0.70 ACHE (0.44) CYP3A4ACHE
SCHEMBL12715305 0.68 ALOX5 (0.55) ESR2ESR1MAOAHSD17B1HSD17B2
SCHEMBL12598931 0.68 SLC6A4 (0.45) —
Hydrochloric Acid SCHEMBL31307333 0.67 ACHE (0.39) ESR2ESR1ALOX15ACHE
Methylhydroquinone SCHEMBL5712106 0.66 HSD17B1 (0.64) ESR2ESR1CYP3A4HSD17B1HSD17B2
SCHEMBL125704 0.65 — —
SCHEMBL29405862 0.65 — —
SCHEMBL5157528 0.64 SLC22A2 (0.56) ACHE
SCHEMBL2718119 0.64 ESR2 (0.73) ESR2ESR1HSD17B1HSD17B2

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
EP-3164390-B1 ELECTROCHROMIC DEVICES AND COMPOUNDS THEREFOR GENTEX CORP (US) 2019-09-18 — — EP disclosed
US-20180157139-A1 ELECTROCHEMICAL ENERGY STORAGE DEVICES GENTEX CORPORATION 2018-06-07 — — US disclosed
US-9964828-B2 Electrochemical energy storage devices GENTEX CORPORATION (US) 2018-05-08 — — US disclosed
WO-2015183821-A1 ELECTROCHEMICAL ENERGY STORAGE DEVICES GENTEX CORPORATION (US) 2015-12-03 — — WO disclosed
US-20150346573-A1 ELECTROCHEMICAL ENERGY STORAGE DEVICES GENTEX CORPORATION 2015-12-03 — — US disclosed
US-9005578-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders FLUOROPHARMA, INC. (US) 2015-04-14 — — US disclosed
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