SCHEMBL3695618

SCHEMBL3695618

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
THRB P10828 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.32
DGAT1 O75907 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
SCHEMBL2173720 0.82 TSHR (0.42) TSHRCTHCBSTHPOTHRB
Hydrochloric Acid SCHEMBL10555403 0.80 THRB (0.44) TSHRCTHCBSTHPOTHRB
SCHEMBL848847 0.78 HDAC6 (0.34) HDAC6HDAC1HDAC2USP2SMN1; SMN2
SCHEMBL28061441 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2USP2SMN1; SMN2
SCHEMBL27482952 0.78 DGAT1 (0.33) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL9299514 0.77 HDAC6 (0.33) HDAC6HDAC1HDAC2ELANEDGAT1
Oxalic Acid SCHEMBL11350983 0.77 TSHR (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL1827760 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL27804594 0.75 HDAC6 (0.37) HDAC6HDAC1HDAC2
SCHEMBL13819665 0.74 HDAC6 (0.34) HDAC6HDAC1HDAC2USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264967-B Programmed death ligand-1 targeted compound and preparation method and application thereof 江苏省原子医学研究所 2023-04-18 CN claimed
CN-111675694-B Oxime group-containing diaryl pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2021-11-26 CN claimed
CN-111592530-B Acldoxime-containing tacrine derivative selective butyrylcholinesterase inhibitor and preparation method and application thereof 山东大学 2021-09-24 CN claimed
CN-113264967-A Programmed death ligand-1 targeted compound and preparation method and application thereof 江苏省原子医学研究所 2021-08-17 CN claimed
CN-112375015-A Preparation method of di-tert-butyloxycarbonylaminoacetic acid 安徽昊帆生物有限公司 2021-02-19 CN claimed
CN-111592530-A Acldoxime-containing tacrine derivative selective butyrylcholinesterase inhibitor and preparation method and application thereof 山东大学 2020-08-28 CN claimed
CN-117024438-A Esatitecan derivative and application thereof 杭州爱科瑞思生物医药有限公司 2023-11-10 CN disclosed
CN-112375015-B Preparation method of di-tert-butyloxycarbonyl aminooxy acetic acid 安徽昊帆生物有限公司 2023-09-19 CN disclosed
CN-113264967-B Programmed death ligand-1 targeted compound and preparation method and application thereof 江苏省原子医学研究所 2023-04-18 CN disclosed
CN-111592530-B Acldoxime-containing tacrine derivative selective butyrylcholinesterase inhibitor and preparation method and application thereof 山东大学 2021-09-24 CN disclosed
CN-113264967-A Programmed death ligand-1 targeted compound and preparation method and application thereof 江苏省原子医学研究所 2021-08-17 CN disclosed
CN-112375015-A Preparation method of di-tert-butyloxycarbonylaminoacetic acid 安徽昊帆生物有限公司 2021-02-19 CN disclosed
CN-112375015-A Preparation method of di-tert-butyloxycarbonylaminoacetic acid 安徽昊帆生物有限公司 2021-02-19 CN disclosed
US-20100291637-A1 METHOD FOR MODIFYING NUCLEOTIDE CHAIN PANASONIC CORPORATION (JP) 2010-11-18 US disclosed
EP-1647592-B1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORP (JP) 2009-03-11 EP disclosed
US-20070077629-A1 Method for modifying nucleotide chain PANASONIC CORPORATION (JP) 2007-04-05 US disclosed
EP-1647592-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2006-04-19 EP disclosed