SCHEMBL4148091

SCHEMBL4148091

[CH2]COCCO[N+](=O)[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
SCHEMBL1830737 0.98 ALDH1A1 (0.37)
SCHEMBL8710217 0.86 CA12 (0.40)
SCHEMBL437092 0.84 ALDH1A1 (0.46)
SCHEMBL28277555 0.84 ALDH1A1 (0.46)
SCHEMBL439675 0.84 ALDH1A1 (0.46)
SCHEMBL11792981 0.84 ALDH1A1 (0.46)
SCHEMBL1773954 0.84 ALDH1A1 (0.46)
Ethylene SCHEMBL11441586 0.81 ALDH1A1 (0.48)
Ethylene SCHEMBL20711015 0.81 ALDH1A1 (0.48)
SCHEMBL417312 0.81 ALDH1A1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US claimed
US-20060141044-A1 Pharmaceutical compositions based on diclofenac derivate NICOX S.A. (FR) 2006-06-29 US claimed
US-20060122402-A1 Manufacturing process for no-donating compounds such as no-donating diclofenac NICOX SA (FR) 2006-06-08 US claimed
EP-1635790-A1 PHARMACEUTICAL COMPOSITIONS BASED ON DICLOFENAC DERIVATE Nicox S.A. (FR) 2006-03-22 EP claimed
CN-1684940-A Manufacturing process for NO-donating compounds such as NO-donating diclofenac NICOX SA (FR) 2005-10-19 CN claimed
US-20050129774-A1 Non-donating nsaids adsorbed into carrier particles ASTRAZENECA AB (SE) 2005-06-16 US claimed
WO-2004112753-A1 PHARMACEUTICAL COMPOSITIONS BASED ON DICLOFENAC DERIVATE NICOX S.A. (FR) 2004-12-29 WO claimed
EP-1490033-A1 NO-DONATING NSAIDS ADSORBED INTO CARRIER PARTICLES Nicox S.A. (FR) 2004-12-29 EP claimed
WO-2003080029-A1 NO-DONATING NSAIDS ADSORBED INTO CARRIER PARTICLES ASTRAZENECA AB (SE) 2003-10-02 WO claimed
EP-0207674-A2 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP claimed
US-10266511-B2 No-releasing nitrooxy-chromene conjugates Euclises Pharmaceuticals, Inc. (US) 2019-04-23 US disclosed
US-20160340330-A1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES Euclises Pharmaceuticals, Inc. 2016-11-24 US disclosed
EP-3094333-A1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES Euclises Pharmaceuticals, Inc. (US) 2016-11-23 EP disclosed
WO-2015109011-A1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES Euclises Pharmaceuticals, Inc. (US) 2015-07-23 WO disclosed
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
EP-0759899-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1997-03-05 EP disclosed
WO-1995030641-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1995-11-16 WO disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed
US-4992451-A Hypotensive agents, calcium blocking agents SANKYO COMPANY, LIMITED (JP) 1991-02-12 US disclosed
EP-0207674-A2 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed