SCHEMBL945323

SCHEMBL945323

NCCC1CNCC[N]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
SCHEMBL946960 0.89
SCHEMBL947266 0.88 NOS3 (0.32)
SCHEMBL946810 0.88 SIGMAR1 (0.32)
SCHEMBL3505792 0.83
SCHEMBL948954 0.82
SCHEMBL2913288 0.81 NOS3 (0.32)
SCHEMBL789308 0.78
SCHEMBL6559713 0.78
SCHEMBL477202 0.78
SCHEMBL947605 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135379-B1 ANTITUMOR DIBENZOFLUORENE DERIVATIVES REGENTS BOARD OF (US) 2004-10-06 EP claimed
US-20020103191-A1 Antitumor dibenzofluorene derivatives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-01 US claimed
EP-1135379-A1 ANTITUMOR DIBENZOFLUORENE DERIVATIVES Board of Regents, The University of Texas System (US) 2001-09-26 EP claimed
US-6184224-B1 DRUG RESISTANCE AND SIDE EFFECT REDUCTION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2001-02-06 US claimed
WO-2000032583-A9 ANTITUMOR DIBENZOFLUORENE DERIVATIVES UNIV TEXAS (US) 2000-11-30 WO claimed
WO-2000032583-A1 ANTITUMOR DIBENZOFLUORENE DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-06-08 WO claimed
EP-0675169-B1 Cationic thiadiazole dyes BAYER AG (DE) 1998-09-16 EP claimed
EP-0816351-A1 Functional N-vinylformamides, process for their preparation and their use in free radical polymerisation reactions AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-01-07 EP claimed
US-5580964-A USED FOR DYEING AND PRINTING PAPER IN LIGHTFAST SHADES, AS DICHROIC DYES FOR POLARIZING FILMS BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US claimed
EP-0675169-A2 Cationic thiadiazole dyes BAYER AG (DE) 1995-10-04 EP claimed
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
EP-0675169-B1 Cationic thiadiazole dyes BAYER AG (DE) 1998-09-16 EP disclosed
US-5728878-A USEFUL AS MONOMERS AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-03-17 US disclosed
EP-0816351-A1 Functional N-vinylformamides, process for their preparation and their use in free radical polymerisation reactions AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-01-07 EP disclosed
US-5580964-A USED FOR DYEING AND PRINTING PAPER IN LIGHTFAST SHADES, AS DICHROIC DYES FOR POLARIZING FILMS BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
EP-0675169-A2 Cationic thiadiazole dyes BAYER AG (DE) 1995-10-04 EP disclosed