SCHEMBL3874885

SCHEMBL3874885

O=C(O)O[C@@H]1CCCO1

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
SCHEMBL3886205 1.00
SCHEMBL486112 1.00
SCHEMBL7716652 0.93 MEN1 (0.41)
SCHEMBL9354384 0.93 MEN1 (0.41)
SCHEMBL6553029 0.82
SCHEMBL65810 0.80
SCHEMBL8846056 0.80
SCHEMBL2739848 0.80
SCHEMBL5979280 0.80
SCHEMBL5344482 0.80

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536329-B1 R(+)-TERAZOSIN ABBOTT LAB (US) 1996-04-17 EP claimed
EP-1345910-B9 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2014-06-04 EP disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 EP disclosed
EP-2112140-A1 Chinazolin derivatives, medicine containing these compounds, application thereof and method for their production Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-10-28 EP disclosed
EP-1345910-B1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-29 EP disclosed
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed
EP-2010185-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-01-07 EP disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-1345910-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-24 EP disclosed
WO-2002050043-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 WO disclosed
EP-0521496-B1 Process for producing optically active carboxylic acids CONSORTIUM ELEKTROCHEM IND (DE) 1994-10-19 EP disclosed
EP-0521496-A2 Process for producing optically active carboxylic acids Consortium für elektrochemische Industrie GmbH (DE) 1993-01-07 EP disclosed
EP-0355561-B1 USE OF OPTICALLY ACTIVE TETRAHYDROFURAN-2-CARBOXYLIC-ACID ESTERS IN DOPING LIQUID-CRYSTAL MIXTURES, LIQUID-CRYSTAL MIXTURES CONTAINING THEM, AND OPTICALLY ACTIVE TETRAHYDROFURAN-2-CARBOXYLIC-ACID ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-19 EP disclosed
EP-0355561-A1 Use of optically active tetrahydrofuran-2-carboxylic-acid esters in doping liquid-crystal mixtures, liquid-crystal mixtures containing them, and optically active tetrahydrofuran-2-carboxylic-acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed