SCHEMBL537533

SCHEMBL537533

CC(C)OCc1[nH]nc(C(F)(F)F)c1CO

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
DHODH Q02127 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
SCHEMBL20471491 0.77 HCAR2 (0.36) DHODH
SCHEMBL6886836 0.75 DHODH (0.32) DHODH
SCHEMBL20472445 0.72 GABRA1 (0.34) GABRA1GABRG2GABRB3DHODH
SCHEMBL22858206 0.70
SCHEMBL20471482 0.70 DHODH (0.49) DHODH
SCHEMBL20471489 0.66 DHODH (0.33) DHODH
SCHEMBL16200278 0.64 HCAR2 (0.32)
SCHEMBL19635091 0.64 PTPN1 (0.31)
SCHEMBL13683166 0.63
SCHEMBL2874012 0.63 P2RX7 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990336-B1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-02-08 EP disclosed
EP-1990336-A1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2008-11-12 EP disclosed