SCHEMBL29074342

SCHEMBL29074342

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKCA P17252 1/20 0.31
CA2 P00918 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
SCHEMBL9908330 0.81 TSHR (0.46) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL7679951 0.79 MMP1 (0.39) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL10081208 0.79 LMNA (0.43) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL10486524 0.77 MMP1 (0.38) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18120823 0.77 MGAM (0.50) ALDH1A1ALOX15TDP1PRKCACA2
SCHEMBL10289814 0.77 MGAM (0.50) ALDH1A1ALOX15TDP1PRKCACA2
SCHEMBL248143 0.77 ALDH1A1 (0.50) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL15834913 0.75 CYP2D6 (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL31548529 0.75 CYP2D6 (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL21198852 0.74 ALDH1A1 (0.39) ALDH1A1MMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112088456-B Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2024-04-19 CN disclosed
CN-112119528-B Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2024-04-05 CN disclosed
CN-112136242-B Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2024-03-08 CN disclosed
CN-117039164-A Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2023-11-10 CN disclosed
CN-111373591-B Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2023-11-03 CN disclosed
CN-111712961-B Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2023-09-22 CN disclosed