SCHEMBL4691842

SCHEMBL4691842

O=[N+]([O-])[C]1CCCCC1

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
SCHEMBL11623754 1.00 ALDH1A1 (0.35)
SCHEMBL498638 0.97
SCHEMBL1742743 0.90
SCHEMBL498154 0.83
SCHEMBL10745831 0.71 TRIM24 (0.32)
SCHEMBL19928385 0.69 MAPT (0.35)
SCHEMBL1170651 0.69 MAPT (0.35)
SCHEMBL11803198 0.69 MAPT (0.35)
SCHEMBL31570122 0.69 MAPT (0.35)
SCHEMBL1170650 0.69 MAPT (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253365-B1 RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-27 EP claimed
EP-0253365-A2 Rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-01-20 EP claimed
EP-0121171-A2 Fungicides, process for their preparation and their use BAYER AG (DE) 1984-10-10 EP claimed
EP-4378928-A1 NAPHTHALENE DITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION METHODS AND USES FOR SAME SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-06-05 EP disclosed
CN-118055922-A Naphthalene dithiol and its derivatives, and their preparation method and use 菅井化学工业株式会社 2024-05-17 CN disclosed
CN-1993327-B 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO 2013-02-06 CN disclosed
US-7323520-B2 Anti-aging agents for rubber vulcanizates based on organic compounds containing conjugated azadienes LANXESS DEUTSCHLAND GMBH (DE) 2008-01-29 US disclosed
EP-1874773-A1 HEXARYLENE AND PENTARYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2008-01-09 EP disclosed
EP-1819678-A1 RYLENE TETRACARBOXYLIC ACID DIIMIDES SUBSTITUTED BY CYCLIC AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
EP-1812401-A1 METHOD FOR PRODUCING PERYLENE-3,4-DICARBOXYLIC ACID IMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP disclosed
CN-1993327-A 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO (JP) 2007-07-04 CN disclosed
US-6124467-A Process for the preparation of dithiazolyl disulfides BAYER AKTIENGESELLSCHAFT (DE) 2000-09-26 US disclosed
EP-1008591-A1 Process for the preparation of dithiazolyldisulfides Bayer Aktiengesellschaft (DE) 2000-06-14 EP disclosed
EP-0603001-B1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO CO (JP) 1998-08-26 EP disclosed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed
EP-0603001-A1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO COMPANY LIMITED (JP) 1994-06-22 EP disclosed
US-4452943-A ADDING NITRILE-CONTAINING MATERIAL TO NON-POLAR THERMOPLASTIC POLYMER GOLDMAN CONRAD 1984-06-05 US disclosed
US-4086341-A NITRO SUBSTITUTED; ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-04-25 US disclosed
US-4029806-A Nitro-β-lactam antibiotics and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-06-14 US disclosed
US-4012518-A PENICILLIN DERIVATIVES AS GROWTH AND FEED UTILIZATION PROMOTERS IN ANIMALS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-15 US disclosed