SCHEMBL1618754

SCHEMBL1618754

CN1C=CCC=C1

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
Iodide SCHEMBL29269128 0.96
SCHEMBL9017096 0.83
SCHEMBL1999660 0.79
SCHEMBL28737261 0.67
SCHEMBL13493092 0.65
SCHEMBL10017669 0.63
SCHEMBL6297942 0.62
SCHEMBL4658658 0.62
SCHEMBL1101992 0.62
SCHEMBL14376997 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828135-A4 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-08-12 EP claimed
US-20070259839-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESOTA 2007-11-08 US claimed
US-20070259842-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESOTA 2007-11-08 US claimed
US-20070244081-A1 TRITERPENE QUATERNARY SALTS AS BIOLOGICALLY ACTIVE SURFACTANTS REGENTS OF THE UNIVERSITY OF MINNESTOA 2007-10-18 US claimed
EP-1828135-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM, LLC (BM) 2007-09-05 EP claimed
WO-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 WO claimed
EP-1162197-B1 Process for the preparation of pyridines by oxidation of dihydropyridines using methyl nitrite BAYER CHEMICALS AG (DE) 2004-05-26 EP claimed
EP-1144435-A2 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP claimed
WO-2000043413-A2 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO claimed
EP-0554436-B1 GABA RECEPTOR MODULATORS EURO CELTIQUE SA (LU) 2000-07-05 EP claimed
EP-0994895-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006435-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
EP-0667777-A1 XANTHINE DERIVATIVES FOR USE AS DIURETICS BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1995-08-23 EP claimed
WO-1994011000-A1 XANTHINE DERIVATIVES FOR USE AS DIURETICS BOEHRINGER INGELHEIM KG (DE) 1994-05-26 WO claimed
EP-0259206-B1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1991-10-09 EP claimed
EP-4744902-A1 ON-PRESS DEVELOPMENT-TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, PLANOGRAPHIC PRINTING PLATE PRODUCTION METHOD, AND PLANOGRAPHIC PRINTING METHO FUJIFILM Corporation (JP) 2026-05-20 EP disclosed
EP-4744901-A1 ON-PRESS DEVELOPMENT TYPE PLANOGRAPHIC PRINTING PLATE ORIGINAL PLATE, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, PLANOGRAPHIC PRINTING METHOD, AND COMPOUND FUJIFILM Corporation (JP) 2026-05-20 EP disclosed
US-4450219-A CHARGE GENERATING COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-05-22 US disclosed
EP-0060012-A1 4-Halo-1,8-naphthyridine derivatives useful as intermediates and processes for their preparation AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-15 EP disclosed
EP-0018735-A1 1,8-Naphthyridine derivatives, their preparation, pharmaceutical compositions containing them AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-12 EP disclosed