SCHEMBL444026

SCHEMBL444026

CNCNC=O

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
SCHEMBL633964 0.81
SCHEMBL1307052 0.73
SCHEMBL6983997 0.73
SCHEMBL13986416 0.71
Butanedione SCHEMBL9849141 0.71 TSHR (0.41)
SCHEMBL24370117 0.69 ADH1B (0.64)
SCHEMBL6050817 0.69
SCHEMBL6984384 0.69 ADH1B (0.64)
SCHEMBL2387432 0.69
SCHEMBL18601308 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809748-B1 PROCESS FOR DESULFURIZING PETROLEUM FEEDSTOCKS FIELD UPGRADING LTD (CA) 2017-11-22 EP claimed
EP-1027351-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 2003-12-03 EP claimed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US claimed
US-20240067836-A1 CONDUCTIVE STRUCTURE AND ANTISTATIC COMPOSITION INCLUDING THE SAME DAEJIN ADVANCED MATERIALS INC. (KR) 2024-02-29 US disclosed
WO-2021062231-A2 CANNABINOID PRODRUG COMPOUNDS FIRSTLIGHT PHARMACEUTICALS LLC (US) 2021-04-01 WO disclosed
WO-2014145686-A2 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF SU ZHUANG (US) 2014-09-18 WO disclosed
EP-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-20120065369-A1 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION QURAISHI OMAR (CA) 2012-03-15 US disclosed
US-20110166061-A1 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION CONJUCHEM BIOTECHNOLOGIES, INC. (CA) 2011-07-07 US disclosed
US-7741453-B2 Long lasting fusion peptide inhibitors for HIV infection CONJUCHEM BIOTECHNOLOGIES, INC. (CA) 2010-06-22 US disclosed
US-20080312415-A1 LONG LASTING FUSION PEPTIDE INHIBITORS FOR HIV INFECTION CONJUCHEM BIOTECHNOLOGIES INC. (CA) 2008-12-18 US disclosed
EP-0311322-B1 PYRIDINE OR PYRIDAZINE DERIVATIVES AS CARDIO-PROTECTIVE AGENTS AND FOR THE TREATMENT OF ISCHEMIC DISEASE, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0311322-A2 Pyridine or pyridazine derivatives as cardio-protective agents and for the treatment of ischemic disease, and process for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed