SCHEMBL29034657

SCHEMBL29034657

C=CCC(=O)OC(=O)CC=C.CC(=O)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.36
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.31
PRKCA P17252 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
SCHEMBL775871 0.93
Ethylene SCHEMBL9240041 0.91 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1LMNA
Acetic Acid SCHEMBL775872 0.88 FFAR3 (0.35) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL252925 0.87 HTT (0.35) ALDH1A1TSHRLMNAHTT
Ethylene SCHEMBL9240042 0.85 HTT (0.34) ALDH1A1TSHRLMNAHTT
SCHEMBL462526 0.83 ALDH1A1 (0.40) ALDH1A1TSHRTDP1LMNAHPGD
SCHEMBL27433613 0.82 MGAM (0.46) ALDH1A1TSHRTDP1LMNA
SCHEMBL10892438 0.81
SCHEMBL28024650 0.81 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL775409 0.80 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10TDP1LMNA

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-111108642-B Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device 三菱化学株式会社 2024-04-02 CN disclosed
CN-117790904-A Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device 三菱化学株式会社 2024-03-29 CN disclosed
CN-111628217-B Electrolyte for lithium ion secondary battery, and assembly 丰田自动车株式会社 2023-12-15 CN disclosed
CN-111344891-B Nonaqueous electrolyte and energy device using same 三菱化学株式会社 2023-05-02 CN disclosed