SCHEMBL27613932

SCHEMBL27613932

CN(C)C(C)(NC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL30130704 0.67
SCHEMBL18125958 0.67 KDM4C (0.48) ALDH1A1TSHRMAPTNAALAD2
SCHEMBL28707490 0.66 TSHR (0.39) ALDH1A1TSHRNAALAD2
SCHEMBL9253 0.66
SCHEMBL28016115 0.65
Ammonia Solution, Strong SCHEMBL1793738 0.64 EPHX1 (0.40) ALDH1A1TSHRMAPT
Water SCHEMBL6698331 0.64
SCHEMBL9065833 0.64
SCHEMBL2825781 0.64
SCHEMBL453425 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522909-C Reaction product of 2-propylheptanol with 1-halo-2, 3-epoxypropane and 1-hydroxy-2, 3-epoxypropane BASF AG (DE) 2009-08-05 CN disclosed
CN-100420684-C Alkyl glycidol carbonates used as co-surfactants BASF AG (DE) 2008-09-24 CN disclosed
CN-1720212-A Reaction product of 2-propylheptanol with 1-halo-2, 3-epoxypropane and 1-hydroxy-2, 3-epoxypropane BASF AG (DE) 2006-01-11 CN disclosed
CN-1688567-A Alkyl glycidol carbonates used as co-surfactants BASF AG (DE) 2005-10-26 CN disclosed
CN-1675187-A Co-surfactants based on aldehydes BASF AG (DE) 2005-09-28 CN disclosed