SCHEMBL4325797

SCHEMBL4325797

CC(C)(C)C(=O)ON1C(C)(C)CC(OO)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.31
GAA P10253 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
SCHEMBL1138561 0.86 TSHR (0.44) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13110328 0.83 TSHR (0.56) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13748133 0.82 TSHR (0.36) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1138597 0.81 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4325339 0.80 TSHR (0.55) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12862768 0.77 KMT2A (0.43) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4100145 0.76 TSHR (0.49) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1139079 0.76 SMN1; SMN2 (0.40) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1138712 0.74 TSHR (0.74) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL14066748 0.72 EPHX2 (0.36) TSHRKMT2A

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
US-8168725-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2012-05-01 US disclosed
US-20110207892-A1 DEGRADATION OF POLYPROPYLENE WITH HYDROXYLAMINE ESTER COMPOSITIONS ROTH MICHAEL 2011-08-25 US disclosed
US-7956109-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2011-06-07 US disclosed
US-20080234453-A1 Method of Preparing Ethylene Polymers by Controlled High Pressure Polymerization ROTH MICHAEL 2008-09-25 US disclosed
US-20080045662-A1 Degradation of Polypropylene with Hydroxylamine Ester Compositions CIBA CORPORATION 2008-02-21 US disclosed