SCHEMBL3873445

SCHEMBL3873445

CCOc1cccc(-c2cc(F)c(Nc3ncc(C)cc3C(=O)O)c(F)c2)c1.CCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)cc2C)c1.COc1cccc(-c2cc(F)c(Nc3ncc(C)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)cc2C)c1.COc1cccc(-c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.64

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
SCHEMBL3878495 0.98 DHODH (0.66) DHODH
SCHEMBL3874423 0.86 DHODH (0.64) DHODH
SCHEMBL3876817 0.86 DHODH (0.64) DHODH
SCHEMBL3871702 0.84 DHODH (0.58) DHODH
SCHEMBL1955242 0.83 DHODH (0.78) DHODH
SCHEMBL727460 0.81 DHODH (0.83) DHODH
SCHEMBL729551 0.80 DHODH (1.00) DHODH
SCHEMBL728156 0.79 DHODH (0.82) DHODH
SCHEMBL729529 0.79 DHODH (1.00) DHODH
SCHEMBL727786 0.79 DHODH (0.78) DHODH

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-2121614-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2009-11-25 EP claimed
WO-2008077639-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-03 WO claimed