SCHEMBL2148661

SCHEMBL2148661

CC1=CC=CC(C)(C#N)C1O

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
SCHEMBL8532335 0.74
SCHEMBL15440778 0.74
SCHEMBL27701870 0.72
SCHEMBL9623477 0.72
SCHEMBL11047737 0.69
SCHEMBL1173981 0.68
SCHEMBL21891510 0.67
SCHEMBL29064146 0.64
SCHEMBL11134128 0.62
SCHEMBL6915285 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702045-B1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE MYLAN LABORATORIES LTD (IN) 2017-10-18 EP disclosed
EP-2342186-B1 PROCESS FOR SYNTHESIS OF ETRAVIRINE EMCURE PHARMACEUTICALS LTD (IN) 2014-09-17 EP disclosed
EP-2702045-A1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE Mylan Laboratories, Limited (IN) 2014-03-05 EP disclosed
US-8653266-B2 Process for the production of etravirine MYLAN LABORATORIES LIMITED (IN) 2014-02-18 US disclosed
US-20130116433-A1 PROCESS FOR THE PRODUCTION OF ETRAVIRINE MYLAN LABORATORIES LIMITED (IN) 2013-05-09 US disclosed
WO-2012147104-A1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE MYLAN LABORATORIES LTD (IN) 2012-11-01 WO disclosed
US-20110196156-A1 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR GURJAR MUKUND KESHAV 2011-08-11 US disclosed
EP-2342186-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR Emcure Pharmaceuticals Limited (IN) 2011-07-13 EP disclosed
WO-2010150279-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR EMCURE PHARMACEUTICALS LIMITED (IN) 2010-12-29 WO disclosed