SCHEMBL8604065

SCHEMBL8604065

O=c1[nH]nnn1-c1ccc(C(O)(O)F)c(C(O)(O)F)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
AR P10275 2/20 0.31
NOTUM Q6P988 2/20 0.31

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
SCHEMBL5906004 0.85 NOTUM (0.40) IDO1TDO2ARNOTUM
SCHEMBL9401918 0.79 AR (0.37) IDO1TDO2ARNOTUM
SCHEMBL5906245 0.79 AR (0.49) ARNOTUM
SCHEMBL5906416 0.78 NOTUM (0.53) IDO1TDO2ARNOTUM
SCHEMBL9401981 0.78 NOTUM (0.35) IDO1TDO2ARNOTUM
SCHEMBL8603436 0.78 IDO1 (0.51) IDO1TDO2ARNOTUM
SCHEMBL2161285 0.73 ATM (0.47) NOTUM
SCHEMBL2161237 0.72 HTT (0.58) ARNOTUM
SCHEMBL5906067 0.71 IDO1 (0.41) IDO1TDO2NOTUM
SCHEMBL9293712 0.70 PDE2A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
EP-0643049-B1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 US disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
EP-0643049-A1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-03-15 EP disclosed