SCHEMBL4136945

SCHEMBL4136945

N#CC1(O)CCSCC1

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
SCHEMBL5693056 0.84
SCHEMBL5693054 0.84
SCHEMBL7671122 0.78
SCHEMBL1703692 0.73
SCHEMBL1170496 0.73
SCHEMBL23081621 0.72
SCHEMBL11687828 0.71 ALDH1A1 (1.00)
SCHEMBL18010 0.71
SCHEMBL7949934 0.71
SCHEMBL9616090 0.71 ALDH1A1 (1.00)

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
EP-3107916-A1 SPIRO-OXAZOLONES F. Hoffmann-La Roche AG (CH) 2016-12-28 EP disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
CN-105793266-A Spiro-oxazolones 豪夫迈·罗氏有限公司 2016-07-20 CN disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed