SCHEMBL1799515

SCHEMBL1799515

CC1CC=C(B(O)OC(C)(C)C(C)(C)O)CC1

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
SCHEMBL18669795 0.82
SCHEMBL1870613 0.74
SCHEMBL238010 0.73
SCHEMBL18155632 0.73 LMNA (0.36)
SCHEMBL539113 0.73
SCHEMBL2519380 0.72
SCHEMBL18686660 0.71
SCHEMBL4561308 0.71 TSHR (0.36)
SCHEMBL518682 0.71
SCHEMBL2522575 0.70 QDPR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 US disclosed
EP-2903969-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2015-08-12 EP disclosed
WO-2014053665-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-04-10 WO disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
EP-2125801-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed