SCHEMBL29967150

SCHEMBL29967150

O=C(O)c1sc(C(=O)O)c(-c2cccc(O)c2)c1-c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
HSD17B1 P14061 14/20 0.52
HSD17B2 P37059 12/20 0.52
PTPN1 P18031 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
DUSP3 P51452 1/20 0.47
IKBKB O14920 1/20 0.43

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
SCHEMBL23200386 1.00 HPGDS (0.56) HPGDSFNTAFNTBHSD17B1HSD17B2
SCHEMBL69825 0.80 GRIA4 (0.50) PTPN1CYP2C9
SCHEMBL28818158 0.73 HNF4A (0.49) HPGDSHSD17B1HSD17B2CA12CA1
SCHEMBL6564927 0.71 CA12 (0.53) HPGDSHSD17B1HSD17B2CA12CA1
SCHEMBL3639170 0.71 HPGDS (1.00) HPGDSHSD17B1HSD17B2
Bicarbonate SCHEMBL28112645 0.71 HSD17B1 (0.73) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL4249787 0.71 CA12 (0.76) HPGDSHSD17B1HSD17B2CA12CA1
Benzoic Acid SCHEMBL23212129 0.71 CA12 (0.69) HPGDSHSD17B1HSD17B2CA12CA1
SCHEMBL29876694 0.71 CA12 (0.76) HPGDSHSD17B1HSD17B2CA12CA1
SCHEMBL10823677 0.70 HNF4A (0.50) HPGDSHSD17B1HSD17B2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702506-B2 Polycarbonate and preparation method thereof LG CHEM, LTD. (KR) 2023-07-18 US disclosed
CN-112654659-B Polycarbonate and method for producing same 株式会社LG化学 2023-01-20 CN disclosed
EP-3805289-B1 POLYCARBONATE AND METHOD FOR PRODUCING SAME LG CHEMICAL LTD (KR) 2022-09-28 EP disclosed