SCHEMBL24933712

SCHEMBL24933712

COCCOC[C@@]1(C)COC[C@@H](COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)O1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.33
HSD17B2 P37059 5/20 0.33
CHEK1 O14757 2/20 0.32
WDR5 P61964 1/20 0.31
RARG P13631 1/20 0.31
PARP1 P09874 1/20 0.31
CHEK2 O96017 1/20 0.30
FFAR1 O14842 1/20 0.30
MOGAT2 Q3SYC2 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
SCHEMBL24933062 0.94 PARP1 (0.32) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL30240729 0.93 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL30240755 0.93 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL30240775 0.93 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL24933300 0.93 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL24933295 0.93 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL24933688 0.92 HSD17B1 (0.32) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL24933323 0.92 HSD17B1 (0.32) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL24933901 0.92 HSD17B1 (0.34) HSD17B1HSD17B2WDR5PARP1FFAR1
SCHEMBL24933922 0.90 HSD17B1 (0.31) HSD17B1HSD17B2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP claimed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN claimed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO claimed
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed