SCHEMBL4908229

SCHEMBL4908229

[CH2]C(O)C[n+]1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
BCHE P06276 6/20 0.36
ACHE P22303 5/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL804049 0.79 CHRNA7 (0.41) CHRNA7BCHEACHECYP1A2CYP2D6
SCHEMBL4893399 0.79 CHRNA7 (0.41) CHRNA7BCHEACHECYP1A2CYP2D6
SCHEMBL16673968 0.78 CHRNA7 (0.53) CHRNA7BCHEACHECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL32681173 0.77 CHRNA7 (0.40) CHRNA7BCHEACHECYP1A2CYP2D6
SCHEMBL4133422 0.72 CHRNA7 (0.48) CHRNA7BCHEACHECYP1A2CYP2D6
SCHEMBL15198708 0.72 CHRNA7 (0.44) CHRNA7BCHEACHECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9013751 0.70 CHRNA7 (0.47) CHRNA7BCHEACHECYP1A2CYP2D6
SCHEMBL8492786 0.70 CHRNA7 (0.47) CHRNA7BCHEACHECYP1A2CYP2D6
SCHEMBL19942443 0.70 CHRNA7 (0.47) CHRNA7BCHEACHECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL688013 0.69 CHRNA7 (0.46) CHRNA7BCHEACHECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030738-A HAVING CHARGE CONTROL PROPERTIES AND HIGH THERMAL STABILITY; COMPOUNDS ARE PREFERENTIALLY WITHOUT INHERENT COLOR AND HAVE GOOD DISPERSIBILITY IN CUSTOMARY TONER, POWDER COATING AND ELECTRET BINDERS CLARIANT GMBH (DE) 2000-02-29 US claimed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
US-6030738-A HAVING CHARGE CONTROL PROPERTIES AND HIGH THERMAL STABILITY; COMPOUNDS ARE PREFERENTIALLY WITHOUT INHERENT COLOR AND HAVE GOOD DISPERSIBILITY IN CUSTOMARY TONER, POWDER COATING AND ELECTRET BINDERS CLARIANT GMBH (DE) 2000-02-29 US disclosed
US-4526968-A Quaternary aminehydroxypropane sulfobetaines M&T CHEMICALS INC. (US) 1985-07-02 US disclosed