SCHEMBL2753371

SCHEMBL2753371

O=S(=O)(OC1=CC2CC(C1)CC1(C2)OCCO1)C(F)(F)F

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
SCHEMBL22387690 0.77
SCHEMBL18061521 0.76 DRD2 (0.31)
SCHEMBL12093059 0.76 DRD2 (0.31)
SCHEMBL28332958 0.72
SCHEMBL23962843 0.70
SCHEMBL13005258 0.70
SCHEMBL1881438 0.70
SCHEMBL3386985 0.68
SCHEMBL31548447 0.68
SCHEMBL19570441 0.67 BACE1 (0.33)

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-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed
EP-0796849-B1 NOVEL POLYCYCLIC AMINOPYRIDINE COMPOUNDS AS ACETYLCHOLINESTERASE INHIBITORS, PREPARATION PROCESS AND USE THEREOF MEDICHEM SA (ES) 2003-11-19 EP disclosed
US-5965569-A TREATING MEMORY DISORDERS SUCH AS SENILE DEMENTIA OR ALZHEIMER'S DISEASE MEDICHEM, S.A. (ES) 1999-10-12 US disclosed
EP-0796849-A1 NOVEL POLYCYCLIC AMINOPYRIDINE COMPOUNDS AS ACETYLCHOLINESTERASE INHIBITORS, PREPARATION PROCESS AND USE THEREOF Camps Garcia, Pelayo (ES) 1997-09-24 EP disclosed