SCHEMBL4137877

SCHEMBL4137877

CC(=O)OC(C)=O.[Ar]

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
SCHEMBL4137876 1.00
SCHEMBL5305593 0.95 ALDH1A1 (1.00)
SCHEMBL1330344 0.95
SCHEMBL1331977 0.95
SCHEMBL1331774 0.95
SCHEMBL9866292 0.95
SCHEMBL523 0.95
SCHEMBL431680 0.91
SCHEMBL8450961 0.91
SCHEMBL20530558 0.91

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-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed
WO-2021001697-A1 NOVEL BORONIC ACID CONTAINING PEPTIDOMIMETICS AS MALARIAL SERINE PROTEASE INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2021-01-07 WO disclosed
US-10202411-B2 3′-substituted methyl or alkynyl nucleosides nucleotides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-02-12 US disclosed
EP-3131914-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV Idenix Pharmaceuticals LLC (US) 2017-02-22 EP disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US disclosed
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed
US-20090075309-A1 Bisdeoxycoelenterazine derivatives, methods of use, and BRET2 systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed