SCHEMBL9764867

SCHEMBL9764867

c1ccc(Cc2cc[n+](CCCCC[n+]3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.43
ACHE P22303 7/20 0.43
CALM1 P0DP23 1/20 0.43

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
SCHEMBL9503603 0.92 CHRM2 (0.51) ACHE
SCHEMBL13527298 0.89 CALM1 (0.55) BCHEACHECALM1
SCHEMBL9764868 0.85 BCHE (0.62) BCHEACHE
SCHEMBL9764911 0.85 BCHE (0.62) BCHEACHE
SCHEMBL13934017 0.82 CALM1 (0.57) BCHEACHECALM1
SCHEMBL9503633 0.77 CHRM2 (0.69) ACHE
SCHEMBL9502804 0.77 CHRM2 (0.69) ACHE
SCHEMBL9505762 0.77 CHRM2 (0.69) ACHE
Cetylpyridinium SCHEMBL9505118 0.77 CHRM2 (0.69) ACHE
SCHEMBL9299022 0.77 CHRM2 (0.69) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5070203-A CHARGE CONTROL AGENTS IN ELECTROGRAPHIC TONERS AND DEVELOPERS EASTMAN KODAK COMPANY (US) 1991-12-03 US claimed
US-5041625-A Thermal stability EASTMAN KODAK COMPANY (US) 1991-08-20 US claimed
US-5070203-A CHARGE CONTROL AGENTS IN ELECTROGRAPHIC TONERS AND DEVELOPERS EASTMAN KODAK COMPANY (US) 1991-12-03 US disclosed
US-5041625-A Thermal stability EASTMAN KODAK COMPANY (US) 1991-08-20 US disclosed