SCHEMBL26920142

SCHEMBL26920142

C[C@H](O)C(=O)c1ccc(-c2ccc(F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.47
▸ AKR1C3 P42330 10/20 0.47
▸ AKR1C2 P52895 10/20 0.47
▸ ADH5 P11766 1/20 0.44
▸ S1PR1 P21453 2/20 0.43
▸ PDE3B Q13370 3/20 0.41
▸ PDE3A Q14432 3/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ ADCY8 P40145 1/20 0.39
▸ ADCY1 Q08828 1/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C1 Q04828 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
SCHEMBL26919872 1.00 SRD5A2 (0.47) SRD5A2AKR1C3AKR1C2ADH5S1PR1
SCHEMBL26919869 1.00 SRD5A2 (0.47) SRD5A2AKR1C3AKR1C2ADH5S1PR1
SCHEMBL30991461 0.89 SRD5A2 (0.46) SRD5A2AKR1C3AKR1C2ADH5S1PR1
SCHEMBL26919977 0.80 AKR1C3 (0.45) SRD5A2AKR1C3AKR1C2ADH5S1PR1
SCHEMBL26919975 0.80 AKR1C3 (0.45) SRD5A2AKR1C3AKR1C2ADH5S1PR1
SCHEMBL20705294 0.79 HDAC8 (0.50) KIF11
SCHEMBL20705293 0.79 HDAC8 (0.50) KIF11
SCHEMBL30991476 0.79 AKR1C3 (0.50) SRD5A2AKR1C3AKR1C2ADH5S1PR1
SCHEMBL26946396 0.78 AKR1C3 (0.46) SRD5A2AKR1C3AKR1C2ADH5S1PR1
SCHEMBL26936362 0.78 S1PR1 (0.42) SRD5A2AKR1C3AKR1C2ADH5S1PR1

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
WO-2023237651-A1 METHOD FOR THE PREPARATION OF A 3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONE BAYER AKTIENGESELLSCHAFT (DE) 2023-12-14 — — WO disclosed
WO-2023237651-A1 METHOD FOR THE PREPARATION OF A 3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONE BAYER AKTIENGESELLSCHAFT (DE) 2023-12-14 — — WO disclosed
WO-2023237656-A1 CRYSTALLINE FORMS OF (6S)-5-[4'-FLUORO-2-(TRIFLUOROMETHYL)BIPHENYL-4-YL]-6-METHYL-3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONE BAYER AKTIENGESELLSCHAFT (DE) 2023-12-14 — — WO disclosed
EP-4289829-A1 CRYSTALLINE FORMS OF (6S)-5-[4'-FLUORO-2-(TRIFLUOROMETHYL)BIPHENYL-4-YL]-6-METHYL-3,6-DIHYDRO- 2H-1,3,4-OXADIAZIN-2-ONE Bayer Aktiengesellschaft (DE) 2023-12-13 — — EP disclosed
EP-4289828-A1 METHOD FOR THE PREPARATION OF A 3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONE Bayer Aktiengesellschaft (DE) 2023-12-13 — — EP disclosed
EP-4289829-A1 CRYSTALLINE FORMS OF (6S)-5-[4'-FLUORO-2-(TRIFLUOROMETHYL)BIPHENYL-4-YL]-6-METHYL-3,6-DIHYDRO- 2H-1,3,4-OXADIAZIN-2-ONE Bayer Aktiengesellschaft (DE) 2023-12-13 — — EP disclosed
EP-4289828-A1 METHOD FOR THE PREPARATION OF A 3,6-DIHYDRO-2H-1,3,4-OXADIAZIN-2-ONE Bayer Aktiengesellschaft (DE) 2023-12-13 — — EP disclosed
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