SCHEMBL5350853

SCHEMBL5350853

C[C@@H](O)CC(C)(C)S

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
SCHEMBL309465 1.00
SCHEMBL5357862 1.00
SCHEMBL9609392 0.80 CYP1A2 (0.33)
SCHEMBL28701038 0.77 MAPK1 (0.35)
SCHEMBL4469424 0.75
SCHEMBL6512787 0.75
SCHEMBL5930875 0.73
SCHEMBL441789 0.73
SCHEMBL443754 0.73
SCHEMBL195392 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145547-B1 Increased stability of flavor compounds KRAFT FOODS R & D INC (US) 2012-06-27 EP disclosed
US-20100015276-A1 Increased Stability Of Flavor Compounds KRAFT FOODS R&D, INC. 2010-01-21 US disclosed
US-20100015276-A1 Increased Stability Of Flavor Compounds KRAFT FOODS R&D, INC. 2010-01-21 US disclosed
US-RE39464-E1 Oligonucleolotides having site specific chiral phosphorothioate internucleoside linkages ISIS PHARMACEUTICALS INC. (US) 2007-01-09 US disclosed
EP-1097162-B1 OLIGONUCLEOTIDES HAVING SITE SPECIFIC CHIRAL PHOSPHOROTHIOATE INTERNUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS INC (US) 2006-01-18 EP disclosed
US-6867294-B1 Gapped oligomers having site specific chiral phosphorothioate internucleoside linkages ISIS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
US-6440943-B1 MIMIC AND/OR MODULATE THE ACTIVITY OF WILD-TYPE NUCLEIC ACIDS; THE 5' AND THE 3'-TERMINAL INTERNUCLEOSIDE LINKAGES ARE CHIRALLY SP AND INTERNAL INTERNUCLEOSIDE LINKAGES ARE CHIRALLY RP; RESISTANT TO NUCLEASE DEGRADATION; PSORIASIS ISIS PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-1097162-A4 OLIGONUCLEOTIDES HAVING SITE SPECIFIC CHIRAL PHOSPHOROTHIOATE INTERNUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS INC (US) 2002-03-06 EP disclosed
WO-2001040515-A1 GAPPED OLIGOMERS HAVING SITE SPECIFIC CHIRAL PHOSPHOROTHIOATE INTERNUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
EP-1097162-A2 OLIGONUCLEOTIDES HAVING SITE SPECIFIC CHIRAL PHOSPHOROTHIOATE INTERNUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 2001-05-09 EP disclosed
WO-2000004034-A2 OLIGONUCLEOTIDES HAVING SITE SPECIFIC CHIRAL PHOSPHOROTHIOATE INTERNUCLEOSIDE LINKAGES ISIS PHARMACEUTICALS, INC. (US) 2000-01-27 WO disclosed