SCHEMBL430642

SCHEMBL430642

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.44
MAPT P10636 3/20 0.39
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
TSHR P16473 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
TBXA2R P21731 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32
CRAT P43155 1/20 0.32
LMNA P02545 2/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C9 P11712 1/20 0.32
GALR3 O60755 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL781807 0.83
Water SCHEMBL28351618 0.80
Iodide SCHEMBL9421128 0.80
Hydrochloric Acid SCHEMBL28705517 0.80
Methyl Alcohol SCHEMBL23877952 0.80 MAPT (0.42) SLC22A16MAPTCPT2CPT1ATSHR
Formic Acid SCHEMBL3681464 0.79 SLC22A16 (0.44) SLC22A16MAPTCPT2CPT1ATSHR
SCHEMBL27914224 0.78 SLC22A16 (0.45) SLC22A16MAPTCPT2CPT1ATSHR
Dextrocarnitine SCHEMBL27814193 0.75 MAPT (0.76) SLC22A16MAPTCPT2CPT1AMEN1
SCHEMBL15639565 0.72 SLC22A16 (0.39) SLC22A16MAPTCPT2CPT1A
SCHEMBL8201538 0.69 MEN1 (0.35) MEN1KMT2A

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
EP-2596050-B1 EMULSIONS OF AMINOFUNCTIONAL SILICONES DOW SILICONES CORP (US) 2018-11-14 EP disclosed
EP-3004219-A1 PROCESS FOR PREPARING AMINOFUNCTIONAL SILICONE EMULSIONS Dow Corning Corporation (US) 2016-04-13 EP disclosed
US-20160038403-A1 Process For Preparing Aminofunctional Silicone Emulsions DOW COMING CORPORATION (US) 2016-02-11 US disclosed
US-9017650-B2 Emulsions of aminofunctional silicones DOW CORNING CORPORATION (US) 2015-04-28 US disclosed
WO-2014193636-A1 PROCESS FOR PREPARING AMINOFUNCTIONAL SILICONE EMULSIONS DOW CORNING CORPORATION (US) 2014-12-04 WO disclosed
EP-2596050-A1 EMULSIONS OF AMINOFUNCTIONAL SILICONES Dow Corning Corporation (US) 2013-05-29 EP disclosed
US-20130121949-A1 Emulsions Of Aminofunctional Silicones DOW CORNING CORPORATION (US) 2013-05-16 US disclosed
WO-2012012524-A1 EMULSIONS OF AMINOFUNCTIONAL SILICONES DOW CORNING CORPORATION (US) 2012-01-26 WO disclosed