SCHEMBL5175331

SCHEMBL5175331

CC[N+](C)(CC)CC#N.COS(=O)(=O)[O-]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31

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
SCHEMBL5695358 0.82 POLB (0.37) POLB
SCHEMBL5078709 0.81 RECQL (0.40)
SCHEMBL350615 0.81 POLB (0.37) POLB
SCHEMBL4658994 0.79 RECQL (0.62)
SCHEMBL3390696 0.78
SCHEMBL4250087 0.76 HTT (0.45)
Hydrochloric Acid SCHEMBL5187835 0.76 ALDH1A1 (0.37)
SCHEMBL638497 0.74 POLB (0.42) POLB
SCHEMBL28881714 0.73 RECQL (0.41) POLB
SCHEMBL3970446 0.73 CYP2D6 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070245498-A1 Diethyl Methyl Ammonium Nitriles and Detergents and Cleaning Agents Containing Said Ammonium Nitriles REINHARDT GERD 2007-10-25 US disclosed
EP-1784385-A1 DIETHYL METHYL AMMONIUM NITRILES AND DETERGENTS AND CLEANING AGENTS CONTAINING SAID AMMONIUM NITRILES Clariant Produkte (Deutschland) GmbH (DE) 2007-05-16 EP disclosed
WO-2006024434-A1 DIETHYL METHYL AMMONIUM NITRILES AND DETERGENTS AND CLEANING AGENTS CONTAINING SAID AMMONIUM NITRILES CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-03-09 WO disclosed