SCHEMBL20640581

SCHEMBL20640581

CS(=O)(=O)OC1(C(F)(F)F)CCCCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL10408099 0.81
SCHEMBL3371932 0.72 CA1 (0.32)
SCHEMBL17711700 0.70
SCHEMBL23666996 0.67
SCHEMBL5936147 0.67 NPSR1 (0.34)
SCHEMBL27701284 0.67 CA1 (0.33)
SCHEMBL24663732 0.67
SCHEMBL91241 0.67 RORC (0.31)
Sulfuric Acid SCHEMBL15066152 0.66
SCHEMBL27920777 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 US disclosed
EP-3652179-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-05-20 EP disclosed
WO-2019012093-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-17 WO disclosed