SCHEMBL20744353

SCHEMBL20744353

CC(C)(O)C(C)(C)O.Cn1nccc1B(O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.32
HTT P42858 1/20 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
SCHEMBL323237 0.90
SCHEMBL28723687 0.77 ALDH1A1 (0.34)
SCHEMBL20171986 0.75
SCHEMBL28490646 0.73 SSTR4 (0.34)
SCHEMBL31416574 0.70 SSTR4 (0.31)
SCHEMBL29956694 0.68 MAPK1 (0.32)
SCHEMBL16053677 0.67
SCHEMBL19857578 0.67 COMT (0.35) COMTHTT
SCHEMBL25756645 0.67 S1PR1 (0.32) COMT
SCHEMBL18420206 0.65 SSTR4 (0.32)

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-3668873-A1 IMIDAZO[1,2-A]IMIDAZOL-2-ONE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS PARKINSON'S DISEASE H. Hoffnabb-La Roche Ag (CH) 2020-06-24 EP disclosed
WO-2019034713-A1 IMIDAZO[1,2-A]IMIDAZOL-2-ONE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-02-21 WO disclosed