SCHEMBL2023186

SCHEMBL2023186

CC(C)(O)c1ccccc1CC[C@H](O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1

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
SCHEMBL13424994 0.91 — —
SCHEMBL9119548 0.85 MAPK1 (0.55) —
SCHEMBL9118802 0.85 MAPK1 (0.55) —
SCHEMBL9689041 0.83 CYSLTR2 (0.53) —
SCHEMBL9689591 0.83 CYSLTR2 (0.56) —
SCHEMBL9689399 0.82 CYSLTR2 (0.52) —
SCHEMBL9688179 0.82 — —
SCHEMBL9222120 0.81 CYSLTR2 (0.55) —
SCHEMBL12927207 0.81 PLA2G2A (0.50) —
Acetic Acid SCHEMBL4252301 0.81 CYSLTR2 (0.54) —

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-2516401-A1 IMPROVED PROCESS FOR THE PREPARATION OF MONTELUKAST AND SALTS THEREOF Pharmathen S.A. (GR) 2012-10-31 — — EP claimed
US-20120259121-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-10-11 — — US claimed
WO-2011076237-A1 IMPROVED PROCESS FOR THE PREPARATION OF MONTELUKAST AND SALTS THEREOF PHARMATHEN S.A. (GR) 2011-06-30 — — WO claimed
EP-2516401-A1 IMPROVED PROCESS FOR THE PREPARATION OF MONTELUKAST AND SALTS THEREOF Pharmathen S.A. (GR) 2012-10-31 — — EP disclosed
US-20120259121-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-10-11 — — US disclosed
US-8115004-B2 Process for pure montelukast sodium through pure intermediates as well as amine salts MSN LABORATORIES LIMITED (IN) 2012-02-14 — — US disclosed
US-8115004-B2 Process for pure montelukast sodium through pure intermediates as well as amine salts MSN LABORATORIES LIMITED (IN) 2012-02-14 — — US disclosed
WO-2011076237-A1 IMPROVED PROCESS FOR THE PREPARATION OF MONTELUKAST AND SALTS THEREOF PHARMATHEN S.A. (GR) 2011-06-30 — — WO disclosed
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 disclosed
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