SCHEMBL28067386

SCHEMBL28067386

CC(=O)OC(C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP1 P03956 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
SCHEMBL28067385 1.00 TSHR (0.41) TSHRGAACA1CA2CA7
SCHEMBL18206237 0.82 DGAT1 (0.38) TSHRGAACA1CA2CA7
SCHEMBL7589385 0.81 TSHR (0.35) TSHRGAACHRM2CHRM4CHRM1
SCHEMBL14204800 0.80 TSHR (0.38) TSHRGAACA1CA2CA7
SCHEMBL23397671 0.80 TSHR (0.34) TSHR
SCHEMBL18207058 0.80 TSHR (0.34) TSHR
SCHEMBL18207060 0.80 TSHR (0.34) TSHR
SCHEMBL18206813 0.78 TSHR (0.44) TSHRGAACA1CA2CA7
SCHEMBL7361092 0.78 TSHR (0.44) TSHRGAACA1CA2CA7
SCHEMBL7361094 0.78 TSHR (0.44) TSHRGAACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622456-A Synthetic process for compound D-2-aminoxy-3-methylbutyric acid QINGDAO SHOUTAI AGRICULTURAL SCIENCE & TECH CO LTD 2016-06-01 CN claimed
CN-102911085-A Synthesis process of compound D-2- aminoxy-3-methylbutyric acid GANSU RES INST OF CHEMICAL INDUSTRY 2013-02-06 CN claimed
CN-105622456-A Synthetic process for compound D-2-aminoxy-3-methylbutyric acid QINGDAO SHOUTAI AGRICULTURAL SCIENCE & TECH CO LTD 2016-06-01 CN disclosed
CN-102911085-A Synthesis process of compound D-2- aminoxy-3-methylbutyric acid GANSU RES INST OF CHEMICAL INDUSTRY 2013-02-06 CN disclosed