SCHEMBL3193203

SCHEMBL3193203

[O-][S+](Cl)c1ncc[nH]1

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
SCHEMBL261678 0.80 ALDH1A1 (0.40)
SCHEMBL2947883 0.76
SCHEMBL22024413 0.71 ALDH1A1 (0.38)
SCHEMBL4685982 0.71
SCHEMBL12854154 0.71
SCHEMBL17368397 0.71 ALDH1A1 (0.38)
SCHEMBL4685983 0.71
SCHEMBL4685300 0.70 ALDH1A1 (0.37)
SCHEMBL4684833 0.69 ALDH1A1 (0.31)
SCHEMBL4684827 0.69 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736909-B1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS FARMA GRS D O O (SI) 2017-03-29 EP claimed
EP-2736909-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS Farma GRS, d.o.o. (SI) 2014-06-04 EP claimed
WO-2013013833-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS FARMA GRS, D.O.O. (SI) 2013-01-31 WO claimed
US-20050171165-A1 Process for the preparation of perindopril GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-08-04 US claimed
EP-0719280-B1 PROCESS FOR THE PREPARATION OF COMPOUNDS HAVING ACE INHIBITORY ACTION AS WELL AS NOVEL COMPOUNDS USEFUL AS STARTING MATERIALS OR INTERMEDIATES IN SAID PROCESS LEK TOVARNA FARMACEVTSKIH (SI) 1999-11-10 EP claimed
US-5789597-A ANGIOTENSIN CONVERTING ENZYME, ENALAPRIL MALEATE LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, D.D. (SI) 1998-08-04 US claimed
EP-0719280-A1 PROCESS FOR THE PREPARATION OF COMPOUNDS HAVING ACE INHIBITORY ACTION AS WELL AS NOVEL COMPOUNDS USEFUL AS STARTING MATERIALS OR INTERMEDIATES IN SAID PROCESS LEK, tovarna farmacevtskih in kemicnih izdelkov, d.d. (SI) 1996-07-03 EP claimed
WO-1996002564-A1 PROCESS FOR THE PREPARATION OF COMPOUNDS HAVING ACE INHIBITORY ACTION AS WELL AS NOVEL COMPOUNDS USEFUL AS STARTING MATERIALS OR INTERMEDIATES IN SAID PROCESS LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, D.D. (SI) 1996-02-01 WO claimed
EP-2736909-B1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS FARMA GRS D O O (SI) 2017-03-29 EP disclosed
EP-2736909-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS Farma GRS, d.o.o. (SI) 2014-06-04 EP disclosed
WO-2013013833-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS FARMA GRS, D.O.O. (SI) 2013-01-31 WO disclosed
EP-1628956-B1 A PROCESS FOR THE PREPARATION OF COMPOUNDS HAVING AN ACE INHIBITORY ACTION LEK PHARMACEUTICALS (SI) 2010-11-17 EP disclosed
US-7671215-B2 Process for the preparation of compounds having an ace inhibitory action LEK PHARMACEUTICALS, D.D. (SI) 2010-03-02 US disclosed
US-20070072919-A1 Process for the preparation of compounds having an ace inhibitory action LEK PHARMACEUTICALS, D.D. (SI) 2007-03-29 US disclosed
US-4855295-A Tetrahydro-beta-carbolines, and their use as drugs SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
US-4778800-A ANXIOLYTIC, ANTICONVULSANT SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
US-4757070-A 3-oxadiazolyl-5-aminoalkyl-beta-carboline derivatives compositions and use SCHERING AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4731365-A 5-aminoalkyl-beta-carboline derivatives, psycho tropic compositions and use SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-15 US disclosed
US-4623649-A PSYCHOPHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1986-11-18 US disclosed
US-4600715-A CENTRAL NERVOUS SYSTEM SHERING AKTIENGESELLSCHAFT (DE) 1986-07-15 US disclosed