SCHEMBL7117002

SCHEMBL7117002

CC(=O)CC(=O)OC=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
SCHEMBL465128 0.77
SCHEMBL693397 0.77
SCHEMBL94026 0.75
SCHEMBL10390276 0.74
SCHEMBL10527752 0.73
SCHEMBL4606699 0.73 MGAM (0.50)
SCHEMBL31297141 0.73 MGAM (0.50)
SCHEMBL28766415 0.73 MGAM (0.50)
SCHEMBL23130665 0.71 MGAM (0.54)
SCHEMBL7117226 0.71 MGAM (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed
US-6166257-A METAL COMPLEX OF AN OPTICALLY ACTIVE BIS(1-PHOSPHA-2,3-DIPHENYL-4,5-DIMETHYLNORBORNADIENE) RHODIA CHIMIE (FR) 2000-12-26 US disclosed
EP-0295109-B2 Process for preparing optically active alcohol TAKASAGO PERFUMERY CO LTD (JP) 1996-09-04 EP disclosed
EP-0295109-A1 Process for preparing optically active alcohol Takasago International Corporation (JP) 1988-12-14 EP disclosed