SCHEMBL29914342

SCHEMBL29914342

O=C(O)c1cc(-c2ccccc2)c(C(=O)O)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDT P30046 1/20 0.74
KMO O15229 3/20 0.50
LDHA P00338 1/20 0.50
ASPH Q12797 7/20 0.49
KDM4E B2RXH2 6/20 0.49
KDM8 Q8N371 6/20 0.49
RIOX2 Q8IUF8 5/20 0.48
ALDH1A1 P00352 1/20 0.47
PTPN1 P18031 2/20 0.46
HNF4A P41235 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL686861 1.00 DDT (0.74) DDTKMOLDHAASPHKDM4E
SCHEMBL29958892 0.85 DDT (1.00) DDTKMOASPHKDM4EKDM8
SCHEMBL2806999 0.85 DDT (1.00) DDTKMOASPHKDM4EKDM8
SCHEMBL28241485 0.85 DDT (0.55) DDTKMOLDHAASPHKDM4E
SCHEMBL28557056 0.85 DDT (0.62) DDTASPHKDM4EKDM8RIOX2
SCHEMBL7019233 0.81 GABRP (0.54) DDTLDHAALDH1A1PTPN1HNF4A
SCHEMBL28109275 0.81 LDHA (0.57) DDTLDHAKDM4EALDH1A1PTPN1
SCHEMBL27541520 0.81 DDT (0.51) DDTLDHAALDH1A1PTPN1HNF4A
SCHEMBL25202889 0.81 DDT (0.51) DDTKMOLDHAASPHKDM4E
SCHEMBL25201104 0.81 DDT (0.51) DDTKMOALDH1A1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112956056-B Low permeability Polybenzimidazole (PBI) membrane for redox flow battery 南卡罗来纳大学 2024-10-01 CN claimed
CN-112955498-B Polybenzimidazole (PBI) membrane for redox flow battery 南卡罗来纳大学 2024-05-10 CN claimed
CN-117797875-A Preparation method of zirconium-based metal organic framework-based photocatalytic material and light stability research method thereof 中国科学技术大学 2024-04-02 CN claimed
CN-112956056-B Low permeability Polybenzimidazole (PBI) membrane for redox flow battery 南卡罗来纳大学 2024-10-01 CN disclosed
WO-2024196847-A2 STRONG POLYBENZIMIDAZOLE (PBI) GEL MEMBRANES WITH HIGH CONDUCTIVITY UNIVERSITY OF SOUTH CAROLINA (US) 2024-09-26 WO disclosed
CN-112955498-B Polybenzimidazole (PBI) membrane for redox flow battery 南卡罗来纳大学 2024-05-10 CN disclosed
CN-117797875-A Preparation method of zirconium-based metal organic framework-based photocatalytic material and light stability research method thereof 中国科学技术大学 2024-04-02 CN disclosed
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN disclosed
CN-112823182-B Novel method for producing PBI (Poly-p-phenylene benzobisoxazole) membrane without organic solvent 南卡罗莱纳大学 2022-08-30 CN disclosed