SCHEMBL20107995

SCHEMBL20107995

CCn1c(C2CC2)nn(-c2cc(OCC(F)(F)F)c(C(=O)Nc3ccccc3F)cc2F)c1=O

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.78

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
SCHEMBL24282472 0.91 DHODH (0.78) DHODH
SCHEMBL20108082 0.91 DHODH (0.76) DHODH
SCHEMBL20107625 0.89 DHODH (0.79) DHODH
SCHEMBL29815711 0.88 DHODH (1.00) DHODH
SCHEMBL20107986 0.88 DHODH (1.00) DHODH
SCHEMBL24282497 0.85 DHODH (0.57) DHODH
SCHEMBL28953450 0.85 DHODH (0.78) DHODH
SCHEMBL20107704 0.83 DHODH (0.68) DHODH
SCHEMBL20107648 0.83 DHODH (0.78) DHODH
SCHEMBL20107755 0.83 DHODH (0.76) 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-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP disclosed
WO-2018077923-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed