SCHEMBL6600564

SCHEMBL6600564

S=C1CCOCC1

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
SCHEMBL8984099 0.96 TTR (0.43)
SCHEMBL6595068 0.79
SCHEMBL139067 0.69
SCHEMBL7527260 0.69
SCHEMBL9787221 0.69
SCHEMBL3620691 0.69
SCHEMBL11130269 0.67 HTT (0.36)
SCHEMBL11127958 0.67 HTT (0.36)
SCHEMBL11134207 0.67 HTT (0.36)
SCHEMBL12656248 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 EP disclosed
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 US disclosed
US-9458172-B2 Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives VALO HEALTH, INC. 2016-10-04 US disclosed
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Valo Health, LLC 2015-06-25 US disclosed
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES VALO HEALTH, INC. 2015-04-16 US disclosed
EP-2820017-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Genentech, Inc. (US) 2015-01-07 EP disclosed
EP-2820018-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES Genentech, Inc. (US) 2015-01-07 EP disclosed
US-8921398-B2 N-cyclopropyl-N-piperidinyl-amide derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 US disclosed
US-8921398-B2 N-cyclopropyl-N-piperidinyl-amide derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 US disclosed
WO-2013127267-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH, INC. (US) 2013-09-06 WO disclosed
WO-2013127266-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES GENENTECH, INC. (US) 2013-09-06 WO disclosed
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2013-06-06 US disclosed
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2013-06-06 US disclosed
EP-1395561-A1 CARBAMATE AND OXAMIDE COMPOUNDS AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-10 EP disclosed
EP-1381594-A1 UREA COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
WO-2002096876-A1 CARBAMATE AND OXAMIDE COMPOUNDS AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-05 WO disclosed
WO-2002083642-A1 COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed