SCHEMBL28630380

SCHEMBL28630380

C=C(C)C(=O)OCCCCC.C=Cc1ccccc1C=C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.64
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.41
PPARG P37231 3/20 0.39
CNR2 P34972 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL27886581 0.99 TSHR (0.67) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL27956210 0.99 TSHR (0.67) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL29152805 0.99 TSHR (0.67) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL27870390 0.99 TSHR (0.67) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL1614699 0.96 TSHR (0.57) TSHRMAPK1TP53CYP3A4LMNA
Styrene SCHEMBL26633379 0.92 TSHR (0.58) TSHRMAPK1TP53CYP3A4LMNA
Hydrochloric Acid SCHEMBL28924433 0.90 TSHR (0.56) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL28191642 0.90 TSHR (0.47) TSHRLMNAALDH1A1TDP1POLB
Styrene SCHEMBL29157996 0.89 TSHR (0.50) TSHRMAPK1TP53CYP3A4LMNA
SCHEMBL641784 0.88 THRB (0.49) TSHRCYP3A4LMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110391382-B Composite separator, method of preparing the same, and lithium secondary battery including the same 三星电子株式会社 2024-03-12 CN claimed
CN-108807851-B Negative electrode for lithium metal battery, method of preparing the same, lithium metal battery including the same, and composite electrolyte 三星电子株式会社 2023-07-07 CN claimed
CN-107394115-B Negative electrode for lithium metal battery and lithium metal battery including the same 三星电子株式会社 2022-03-29 CN claimed
CN-107359309-B Negative electrode for lithium metal battery and lithium metal battery including the same 三星电子株式会社 2022-01-18 CN claimed
CN-110391382-B Composite separator, method of preparing the same, and lithium secondary battery including the same 三星电子株式会社 2024-03-12 CN disclosed
CN-108807851-B Negative electrode for lithium metal battery, method of preparing the same, lithium metal battery including the same, and composite electrolyte 三星电子株式会社 2023-07-07 CN disclosed
CN-108232289-B Composite electrolyte structure and lithium metal battery including the same 三星电子株式会社 2023-07-07 CN disclosed
CN-107394115-B Negative electrode for lithium metal battery and lithium metal battery including the same 三星电子株式会社 2022-03-29 CN disclosed
CN-107359309-B Negative electrode for lithium metal battery and lithium metal battery including the same 三星电子株式会社 2022-01-18 CN disclosed
CN-113224318-A Positive electrode, lithium-air battery including the same, and method of preparing the positive electrode 三星电子株式会社 2021-08-06 CN disclosed