Octanedioate

Octanedioate

SCHEMBL27828752

CO.O=C(O)CCCCCCC(=O)O

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.86
LMNA P02545 2/20 0.86
NFKB1 P19838 1/20 0.86
PMP22 Q01453 1/20 0.86
GPR84 Q9NQS5 8/20 0.72
PPARG P37231 7/20 0.72
PPARD Q03181 7/20 0.72
PPARA Q07869 7/20 0.72
HDAC11 Q96DB2 5/20 0.72
PTPN1 P18031 3/20 0.72
ALDH1A1 P00352 2/20 0.72
TLR2 O60603 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
FABP4 P15090 2/20 0.72
SLC22A6 Q4U2R8 2/20 0.72
FFAR1 O14842 2/20 0.72
FFAR4 Q5NUL3 2/20 0.72
SLC22A8 Q8TCC7 1/20 0.72
MEN1 O00255 1/20 0.72
ESR1 P03372 1/20 0.72

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
Azelaic Acid SCHEMBL10960508 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Azelaic Acid SCHEMBL28922830 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL27786930 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL10960004 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Octanedioate SCHEMBL10954518 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Pimelic Acid SCHEMBL27878807 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Methyl Alcohol SCHEMBL29141896 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Methyl Alcohol SCHEMBL29137858 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Methyl Alcohol SCHEMBL29235057 1.00 TSHR (0.86) TSHRLMNANFKB1PMP22GPR84
Adipic Acid SCHEMBL10388302 0.96 LMNA (0.85) TSHRLMNANFKB1PMP22GPR84

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
CN-109265355-B Pentanediamine suberate salt and crystal thereof 南京工业大学 2021-06-25 CN disclosed
CN-109265355-A Pentanediamine suberate salt and crystal thereof 南京工业大学 2019-01-25 CN disclosed
CN-104795595-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-07-22 CN disclosed
CN-102498605-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-05-20 CN disclosed
CN-102210916-B Photo-reduction method for carrying out degradation on organic halides by using carboxylic acids or carboxylates CHINESE ACAD INST CHEMISTRY 2012-07-25 CN disclosed
CN-102498605-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2012-06-13 CN disclosed
CN-102210916-A Photo-reduction method for carrying out degradation on organic halides by using carboxylic acids or carboxylates CHINESE ACAD INST CHEMISTRY 2011-10-12 CN disclosed