SCHEMBL431934

SCHEMBL431934

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

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
SCHEMBL4062497 0.97
SCHEMBL4059820 0.97
SCHEMBL1238338 0.97
SCHEMBL2225149 0.94
SCHEMBL9800820 0.75
SCHEMBL542161 0.73 SLC6A1 (0.34)
SCHEMBL641601 0.71 TSHR (0.32)
SCHEMBL10371841 0.71
SCHEMBL6538151 0.67
SCHEMBL4728246 0.67

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
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed
EP-0475963-A4 POLYMERIZABLE PYRROLIDONYL OXAZOLINE MONOMERS, HOMOPOLYMERS AND COPOLYMERS 1992-06-24 EP claimed
EP-0475963-A1 POLYMERIZABLE PYRROLIDONYL OXAZOLINE MONOMERS, HOMOPOLYMERS AND COPOLYMERS ISP INVESTMENTS INC. (US) 1992-03-25 EP claimed
WO-1990013544-A1 POLYMERIZABLE PYRROLIDONYL OXAZOLINE MONOMERS, HOMOPOLYMERS AND COPOLYMERS GAF CHEMICALS CORPORATION (US) 1990-11-15 WO claimed
WO-2023235380-A1 MACROLIDES FOR TREATING GENETIC DISEASES ZIKANI THERAPEUTICS, INC. (US) 2023-12-07 WO disclosed
CN-110769802-B Solid powder cosmetic 株式会社资生堂 2023-11-07 CN disclosed
CN-117015368-A Spray out product 株式会社大造 2023-11-07 CN disclosed
CN-110769803-B Cosmetic containing titanium dioxide powder 株式会社资生堂 2023-01-03 CN disclosed
US-11123269-B2 Transparent solid composition SHISEIDO COMPANY, LTD. (JP) 2021-09-21 US disclosed
EP-3790859-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE Temple University - Of The Commonwealth System of Higher Education (US) 2021-03-17 EP disclosed
US-20200179241-A1 TRANSPARENT SOLID COMPOSITION SHISEIDO COMPANY, LTD. (JP) 2020-06-11 US disclosed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
CN-1208603-A Paraffin micro-dispersing composite and hair conditioning prepn. and finishing agent SHISEIDO CO LTD (JP) 1999-02-24 CN disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed
US-4987210-A COMPLEXING IODINE AND WATER-INSOLUBLE DRUGS TO MAKE THEM MORE SOLUBLE GAF CHEMICALS CORPORATION (US) 1991-01-22 US disclosed
US-4985521-A COPOLYMERS, COMPLEXES WITH WATER INSOLUBLE MOLECULES GAF CHEMICALS CORPORATION (US) 1991-01-15 US disclosed
US-4946967-A CHEMICAL INTERMEDIATES FOR HIGH MOLECULAR WEIGHT ACYCLIC ESTER OR AMIDE GAF CHEMICALS CORPORATION (US) 1990-08-07 US disclosed
WO-1990005131-A1 POLYMERIZABLE DERIVATIVES OF 5-OXO-PYRROLINE CARBOXYLIC ACID, POLYMERS THEREOF AND METHODS OF PREPARATION GAF CHEMICALS CORPORATION (US) 1990-05-17 WO disclosed