SCHEMBL29134072

SCHEMBL29134072

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.34
HTT P42858 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
SCHEMBL777517 0.94 TSHR (0.39) TSHRTDP1HTT
SCHEMBL777516 0.83 TSHR (0.44) TSHRTDP1
SCHEMBL252925 0.78 HTT (0.35) TSHRHTT
Ethylene SCHEMBL9240042 0.76 HTT (0.34) TSHRHTT
SCHEMBL462526 0.74 ALDH1A1 (0.40) TSHRTDP1HTT
Acetic Acid SCHEMBL775872 0.74 FFAR3 (0.35) TSHRTDP1HTT
SCHEMBL29034657 0.73 ALDH1A1 (0.48) TSHRTDP1HTT
SCHEMBL10749911 0.72 ALDH1A1 (0.34) TSHRHTT
SCHEMBL776285 0.72 TSHR (0.33) TSHRTDP1
SCHEMBL5831086 0.71 TDP1 (0.46) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111919326-B Electrolyte, electrochemical device, lithium ion secondary battery, assembly, and compound 大金工业株式会社 2024-06-11 CN disclosed
CN-118026845-A Fluoroacetate compound 大金工业株式会社 2024-05-14 CN disclosed
CN-111937215-B Electrolyte, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2024-04-19 CN disclosed
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-112042036-B Electrolyte, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2024-03-05 CN disclosed
CN-111656595-B Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2024-01-05 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