SCHEMBL1446771

SCHEMBL1446771

CCOC(Cl)C#N

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
SCHEMBL28759412 0.71
SCHEMBL442012 0.71
SCHEMBL11191983 0.69
SCHEMBL319872 0.69
SCHEMBL30880451 0.67
SCHEMBL10806666 0.67 THRB (0.38)
SCHEMBL21790201 0.67 THRB (0.38)
SCHEMBL555929 0.67
SCHEMBL10842842 0.67
SCHEMBL9598854 0.67

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-2297122-B1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-05-21 EP disclosed
EP-2121643-B1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2013-10-23 EP disclosed
US-8049011-B2 Process for the preparation of levocetirizine and intermediates thereof KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2011-11-01 US disclosed
EP-2297122-A1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2011-03-23 EP disclosed
US-20100105908-A1 Process For The Preparation Of Levocetirizine And Intermediates Thereof KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2010-04-29 US disclosed
WO-2009150147-A1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2009-12-17 WO disclosed
EP-2121643-A2 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF Krka, Torvarna Zdravil, D.D., Novo Mesto (SI) 2009-11-25 EP disclosed
WO-2008110586-A2 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-09-18 WO disclosed
US-6908999-B2 Hydrolysis of N,N-disubstituted (2-(4-(alpha-phenyl-p-chloro-benzyl)piperazin-1-yl)ethoxy)acetamide, to form cetirizine and salts, used as antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2005-06-21 US disclosed
EP-1233954-B1 A PROCESS FOR THE PREPARATION OF 2- 4-(ALPHA-PHENYL-P-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2004-10-20 EP disclosed
US-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2003-05-15 US disclosed