SCHEMBL2186129

SCHEMBL2186129

Oc1cc(O)n[c]n1

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
SCHEMBL8092780 0.80
SCHEMBL3575455 0.74
SCHEMBL6270521 0.71 KDM4E (0.33)
SCHEMBL7491148 0.63
SCHEMBL9098522 0.61
SCHEMBL127131 0.59
SCHEMBL152294 0.59
SCHEMBL8441348 0.59
SCHEMBL11696210 0.59
SCHEMBL31128745 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065057-A2 Chelating conjugates having a substituted aromatic moiety and derivatives thereof Mallinckrodt Inc. (US) 2009-06-03 EP claimed
US-20090053137-A1 Chelating Conjugates Having a Substituted Aromatic Moiety and Derivatives Thereof SpecGx LLC 2009-02-26 US claimed
EP-1993613-A2 CHELATING CONJUGATES HAVING A SUBSTITUTED AROMATIC MOIETY AND DERIVATIVES THEREOF Mallinckrodt, Inc. (US) 2008-11-26 EP claimed
WO-2007106544-A2 CHELATING CONJUGATES HAVING A SUBSTITUTED AROMATIC MOIETY AND DERIVATIVES THEREOF MALLINCKRODT INC. (US) 2007-09-20 WO claimed
EP-0939844-B1 PAPER PRODUCTION PROCESS CLARIANT FINANCE BVI LTD (VG) 2005-11-30 EP claimed
US-6267844-B1 REDUCING BRIGHTNESS CLARIANT FINANCE (BVI) LIMITED (VG) 2001-07-31 US claimed
EP-0939844-A1 PAPER PRODUCTION PROCESS Clariant Finance (BVI) Limited (VG) 1999-09-08 EP claimed
WO-1999011864-A1 PAPER PRODUCTION PROCESS CLARIANT FINANCE (BVI) LIMITED (VG) 1999-03-11 WO claimed
EP-0358152-A1 Diazine-substituted 1-adamantanes, process for their preparation, and their use as medicaments Hess, Ulrich, Dr. (DE) 1990-03-14 EP claimed
US-4415566-A ANTIBIOTICS; BACTERIOSTATS; BACTERICIDES BOEHRINGER INGELHEIM GMBH (DE) 1983-11-15 US claimed
EP-0022494-B1 BETA-LACTAM-COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-02-23 EP claimed
EP-0022494-A1 Beta-lactam-compounds, process for their preparation and therapeutic agents containing them Dr. Karl Thomae GmbH (DE) 1981-01-21 EP claimed
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
US-4415566-A ANTIBIOTICS; BACTERIOSTATS; BACTERICIDES BOEHRINGER INGELHEIM GMBH (DE) 1983-11-15 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
EP-0022494-A1 Beta-lactam-compounds, process for their preparation and therapeutic agents containing them Dr. Karl Thomae GmbH (DE) 1981-01-21 EP disclosed