SCHEMBL990377

SCHEMBL990377

COC(=O)C(CS)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 6/20 0.44
CPB2 Q96IY4 6/20 0.44
THRB P10828 1/20 0.36
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA14 Q9ULX7 1/20 0.33
TP53 P04637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL4366394 0.84 CPN1 (0.36) CPN1CPB2THRBTSHRHSD17B10
SCHEMBL5982259 0.82 CPB2 (0.44) CPN1CPB2TSHRHSD17B10
SCHEMBL28720058 0.81 THRB (0.37) THRBTSHRSMN1; SMN2CA14TP53
SCHEMBL5493664 0.79 THRB (0.36) CPN1CPB2THRBTSHRSMN1; SMN2
SCHEMBL27866752 0.76 CHRNB2 (0.38) THRBTSHRSMN1; SMN2CA14TP53
SCHEMBL28720037 0.75 THRB (0.33) THRBSMN1; SMN2CA14TP53CHRNB2
SCHEMBL1076982 0.75 CPN1 (0.41) CPN1CPB2TSHRHSD17B10CHRNB2
SCHEMBL13271016 0.73 THRB (0.42) THRBTSHRSMN1; SMN2TP53MEN1
SCHEMBL1972762 0.73 THRB (0.42) THRBTSHRSMN1; SMN2CA14TP53
SCHEMBL13950782 0.73 THRB (0.42) THRBTSHRSMN1; SMN2TP53MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008129562-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF STABLE AMORPHOUS ATORVASTATIN HEMI CALCIUM AND THEIR SALTS THEREOF MOREPEN LABORATORIES LIMITED (IN) 2008-10-30 WO claimed
WO-2008062478-A2 IMPROVED PROCESS FOR PURE MONTELUKAST SODIUM THROUGH PURE INTERMEDIATES AS WELL AS NOVEL AMINE SALTS SATYANARAYANA REDDY MANNE (IN) 2008-05-29 WO claimed
EP-2686301-A1 MONTELUKAST INTERMEDIATE CAMPHORSULFONIC SALT Laboratorios Lesvi, S.L. (ES) 2014-01-22 EP disclosed
WO-2012123506-A1 MONTELUKAST INTERMEDIATE CAMPHORSULFONIC SALT LABORATORIOS LESVI, S.L. (ES) 2012-09-20 WO disclosed
WO-2012077123-A1 PURIFICATION OF MONTELUKAST USING A SIMULATED MOVING BED ARCH PHARMALABS LIMITED (IN) 2012-06-14 WO disclosed
WO-2011004298-A1 MONTELUKAST HEXAMETHYLENEDIAMINE SALT AND ITS USE FOR THE PREPARATION OF MONTELUKAST SODIUM ALEMBIC LIMITED (IN) 2011-01-13 WO disclosed
EP-2231613-A1 MONTELUKAST BENZHYDRYL PIPERAZINE SALTS AND PROCESS FOR PREPARATION THEREOF Torrent Pharmaceuticals Ltd. (IN) 2010-09-29 EP disclosed
EP-2195295-A1 METHOD FOR THE PREPARATION OF MONTELUKAST ACID IN IONIC LIQUID MEDIUM Hanmi Pharm. Co., Ltd. (KR) 2010-06-16 EP disclosed
EP-2114889-A1 METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN Hanmi Pharm. Co., Ltd. (KR) 2009-11-11 EP disclosed
WO-2009113087-A1 MONTELUKAST BENZHYDRYL PIPERAZINE SALTS AND PROCESS FOR PREPARATION THEREOF TORRENT PHARMACEUTICALS LTD. (IN) 2009-09-17 WO disclosed
WO-2009048236-A1 METHOD FOR THE PREPARATION OF MONTELUKAST ACID IN IONIC LIQUID MEDIUM HANMI PHARM. CO., LTD. (KR) 2009-04-16 WO disclosed
EP-1646612-A1 PROCESSES FOR PREPARING MONTELUKAST SODIUM Teva Pharmaceutical Industries Ltd (IL) 2006-04-19 EP disclosed
WO-2005105751-A1 PROCESSES FOR PREPARING MONTELUKAST SODIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-11-10 WO disclosed
WO-2005074893-A1 STABLE AMORPHOUS FORMS OF MONTELUKAST SODIUM CHEMAGIS LTD. (IL) 2005-08-18 WO disclosed
EP-0805808-A1 PROCESS FOR THE PREPARATION OF 1-(THIOMETHYL)-CYCLOPROPANEACETIC ACID Merck & Co., Inc. (US) 1997-11-12 EP disclosed
EP-0737186-A1 PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS MERCK & CO. INC. (US) 1996-10-16 EP disclosed
EP-0737196-A1 DIARYL 5,6-FUSED HETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1996-10-16 EP disclosed
WO-1996022987-A1 PROCESS FOR THE PREPARATION OF 1-(THIOMETHYL)-CYCLOPROPANEACETIC ACID MERCK & CO., INC. (US) 1996-08-01 WO disclosed
EP-0699188-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1996-03-06 EP disclosed
WO-1995018107-A1 PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS MERCK & CO., INC. (US) 1995-07-06 WO disclosed