SCHEMBL3397370

SCHEMBL3397370

CCCOC(=O)C(C(=O)OCCC)[C@H](CC)CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MGAM O43451 2/20 0.30
GAA P10253 2/20 0.30
SI P14410 2/20 0.30
MGAM2 Q2M2H8 2/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 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
SCHEMBL3396403 1.00 CA1 (0.34) CA1CA2SMN1; SMN2TSHRALDH1A1
SCHEMBL3394073 0.85 MGAM (0.41) CA1CA2SMN1; SMN2TSHRALDH1A1
SCHEMBL3394079 0.85 MGAM (0.41) CA1CA2SMN1; SMN2TSHRALDH1A1
SCHEMBL3395527 0.85 SMN1; SMN2 (0.48) CA1CA2SMN1; SMN2TSHRMGAM
SCHEMBL3391894 0.85 SMN1; SMN2 (0.48) CA1CA2SMN1; SMN2TSHRMGAM
SCHEMBL3396358 0.80 TSHR (0.33) CA1CA2SMN1; SMN2TSHRALDH1A1
SCHEMBL3396035 0.80 TSHR (0.33) CA1CA2SMN1; SMN2TSHRALDH1A1
SCHEMBL677361 0.78 TSHR (0.46) CA1CA2SMN1; SMN2TSHRALDH1A1
SCHEMBL3395840 0.75 MGAM (0.39) CA1CA2SMN1; SMN2TSHRALDH1A1
SCHEMBL3395204 0.75 MGAM (0.39) CA1CA2SMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154253-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE SUMITOMO CHEMICAL CO (JP) 2019-04-10 EP disclosed
US-9970043-B2 Process for producing optically active 2-alkyl-1,1,3-trialkoxycarbonylpropane GENENTECH, INC. (US) 2018-05-15 US disclosed
US-20170145468-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-20150218602-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE GENENTECH INC (US) 2015-08-06 US disclosed
US-8969051-B2 Process for producing optically active 2-alkyl-1,1,3-trialkoxycarbonylpropane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-03-03 US disclosed
US-20100240107-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
EP-2154253-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYL-1,1,3-TRIALKOXYCARBONYLPROPANE Sumitomo Chemical Company, Limited (JP) 2010-02-17 EP disclosed