SCHEMBL9502804

SCHEMBL9502804

CCCCCCCCCCCC[n+]1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.69
ADRA2A P08913 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
CHRM1 P11229 2/20 0.69
ACHE P22303 2/20 0.69
SLC6A2 P23975 2/20 0.69
SLC6A4 P31645 2/20 0.69
SLC6A3 Q01959 2/20 0.69
ABCB11 O95342 1/20 0.69
ESR1 P03372 1/20 0.69
PGR P06401 1/20 0.69
HTR1A P08908 1/20 0.69
DRD1 P21728 1/20 0.69
TBXA2R P21731 1/20 0.69
PTGS1 P23219 1/20 0.69
PDE4A P27815 1/20 0.69
ADRA1A P35348 1/20 0.69
OPRM1 P35372 1/20 0.69
DRD3 P35462 1/20 0.69
KCNH2 Q12809 1/20 0.69

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
SCHEMBL9299022 1.00 CHRM2 (0.69) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL9503633 1.00 CHRM2 (0.69) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL9505762 1.00 CHRM2 (0.69) CHRM2ADRA2AADORA3CHRM1ACHE
Cetylpyridinium SCHEMBL9505118 1.00 CHRM2 (0.69) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL9505743 0.98 CHRM2 (0.66) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL9505124 0.95 ACHE (0.59) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL9764911 0.91 BCHE (0.62) ACHE
SCHEMBL9764868 0.91 BCHE (0.62) ACHE
SCHEMBL11707575 0.90 HTT (0.71) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL9503603 0.87 CHRM2 (0.51) CHRM2ADRA2AADORA3CHRM1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541631-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1993-05-19 EP claimed
EP-0495071-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-07-22 EP claimed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO claimed
WO-1992002860-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-02-20 WO claimed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US claimed
EP-0541631-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1993-05-19 EP disclosed
EP-0495071-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-07-22 EP disclosed
WO-1992002504-A1 N-SUBSTITUTED PYRIDINIUMBORATES EASTMAN KODAK COMPANY (US) 1992-02-20 WO disclosed
WO-1992002860-A1 TONERS AND DEVELOPERS CONTAINING N-SUBSTITUTED PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1992-02-20 WO disclosed
US-5075190-A Heat and humidity resistant EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed