SCHEMBL498638

SCHEMBL498638

O=[N+]([O-])[C]1CCCC1

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
SCHEMBL4691842 0.97
SCHEMBL11623754 0.97 ALDH1A1 (0.35)
SCHEMBL1742743 0.93
SCHEMBL498154 0.86
SCHEMBL10745831 0.73 TRIM24 (0.32)
SCHEMBL14392214 0.65 LMNA (0.33)
SCHEMBL28664166 0.65 MEN1 (0.33)
SCHEMBL6514223 0.59
SCHEMBL1433663 0.59 MEN1 (0.75)
Cyclohexane SCHEMBL27596844 0.57 MEN1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501397-B1 Curable, heat activable transfer toners DU PONT (US) 1998-11-11 EP claimed
US-5240814-A Blend of thermoplastic resin, plasticizer and organometallic curing agent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-31 US claimed
EP-0501397-A1 Curable, heatactivatable transfer toners E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-02 EP claimed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
CN-1975574-B Radiation sensitive resin composition SUMITOMO CHEMICAL CO 2011-06-15 CN disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
CN-1975574-A Radiation sensitive resin composition SUMITOMO CHEMICAL CO (JP) 2007-06-06 CN disclosed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed
CN-1095374-A Biphenyl derivatives, their preparation and they are in the application for the treatment of hypertension and cardiac disease SANKYO CO (JP) 1994-11-23 CN 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-5240814-A Blend of thermoplastic resin, plasticizer and organometallic curing agent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-31 US disclosed
EP-0501397-A1 Curable, heatactivatable transfer toners E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-02 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