SCHEMBL1396913

SCHEMBL1396913

C=C(C)c1ccccc1CC[C@H](C)c1cccc(C=Cc2ccc3ccc(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
SCHEMBL1397230 1.00 — —
SCHEMBL9947884 1.00 — —
SCHEMBL12597691 1.00 — —
SCHEMBL18192993 0.95 CYSLTR2 (0.48) —
SCHEMBL13971703 0.91 — —
SCHEMBL10027690 0.91 — —
SCHEMBL10014498 0.91 — —
SCHEMBL1396780 0.91 — —
Hydrochloric Acid SCHEMBL14670343 0.90 — —
SCHEMBL18192989 0.89 — —

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-2288595-B1 AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF LAURUS LABS PRIVATE LTD (IN) 2016-11-02 — — EP disclosed
WO-2009144742-A3 AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF APTUIT LAURUS PVT LIMITED (IN) 2014-09-04 — — WO disclosed
US-8367834-B2 Process for preparing Montelukast and salts thereof LAURUS LABS PRIVATE LIMITED (IN) 2013-02-05 — — US disclosed
US-8207343-B2 Process for preparing montelukast and salts thereof LAURUS LABS PRIVATE LIMITED (IN) 2012-06-26 — — US disclosed
US-20110112300-A1 IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF Aptuit Laurus Pvt. Ltd. (IN) 2011-05-12 — — US disclosed
EP-2288595-A2 AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF Aptuit Laurus Pvt Limited (IN) 2011-03-02 — — EP disclosed
EP-2288595-A2 AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF Aptuit Laurus Pvt Limited (IN) 2011-03-02 — — EP disclosed
WO-2009144742-A2 AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF APTUIT LAURUS PVT LIMITED (IN) 2009-12-03 — — WO disclosed
WO-2009144742-A2 AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF APTUIT LAURUS PVT LIMITED (IN) 2009-12-03 — — WO disclosed
Send feedback