SCHEMBL1811918

SCHEMBL1811918

CC1(C)C=C(C(=O)O)CC(C)(C)N1[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
SCHEMBL1811919 0.81 MAPT (0.36) —
SCHEMBL1812704 0.80 CHRM3 (0.37) —
SCHEMBL10940131 0.72 — —
SCHEMBL4555678 0.69 — —
SCHEMBL31665892 0.63 FFAR3 (0.30) —
SCHEMBL5599103 0.63 KMT2A (0.49) —
SCHEMBL28178695 0.61 FFAR3 (0.38) —
SCHEMBL27678526 0.60 — —
SCHEMBL27647018 0.59 ALDH1A1 (0.37) —
SCHEMBL28087884 0.59 KDM4E (0.31) —

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
US-7473795-B2 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2009-01-06 — — US claimed
EP-1438277-B1 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE UNIROYAL CHEM CO INC (US) 2007-03-07 — — EP claimed
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC A CORPORATION OF THE STATE OF DELAWARE 2006-07-13 — — US claimed
US-7045647-B2 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-05-16 — — US claimed
US-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC. 2005-05-26 — — US claimed
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2005-05-26 — — US claimed
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors ADDIVANT USA, LLC 2004-01-15 — — US claimed
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature CROMPTON CORPORATION 2002-09-05 — — US claimed
US-7943809-B2 Composition and method for inhibiting polymerization and polymer growth CHEMTURA CORPORATION (US) 2011-05-17 — — US disclosed
US-7728083-B1 Aromatic sulfonic acids, amines and nitrophenols in combination with nitroxyl radical-containing compounds or C-nitrosoanilines as polymerization inhibitors CHEMTURA CORPORATION (US) 2010-06-01 — — US disclosed
US-20100127218-A1 AROMATIC SULFONIC ACIDS, AMINES AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2010-05-27 — — US disclosed
US-20100093897-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH CHEMTURA CORPORATION (US) 2010-04-15 — — US disclosed
US-7696290-B2 Aromatic sulfonic acids, amines, and nitrophenols in combination with nitroxyl radical-containing compounds or C-nitrosanilines as polymerization inhibitors CROMPTON CORPORATION (US) 2010-04-13 — — US disclosed
EP-1794106-B1 SULFONATED PHENOLS WITH NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA CORP (US) 2010-04-07 — — EP disclosed
US-20020037958-A1 Inhibition of polymerization of unsaturated monomers ADDIVANT USA, LLC 2002-03-28 — — US disclosed
US-6344560-B1 SOLUBILITY OF NITROXYL IN AROMATIC SOLVENT AND NITROAROMATIC COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2002-02-05 — — US disclosed
WO-2001053235-A1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-07-26 — — WO disclosed
WO-2001040404-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-06-07 — — WO disclosed
US-4925652-A NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-15 — — US disclosed
US-4845090-A NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1989-07-04 — — US disclosed
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