SCHEMBL585284

SCHEMBL585284

CC(=O)OC(C)(C)C#N

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
SCHEMBL6155938 0.79 GAA (0.41)
SCHEMBL14351740 0.79
SCHEMBL10011968 0.79
SCHEMBL12589075 0.78 ALDH1A1 (0.42)
SCHEMBL9466291 0.78 GAA (0.44)
SCHEMBL10927124 0.77
SCHEMBL6621890 0.77
SCHEMBL13854287 0.77 PRKCA (0.32)
SCHEMBL18672365 0.76 GAA (0.37)
SCHEMBL3163794 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050123835-A1 Lithium hexafluorophosphate salt, methoxypropionitrile and ethylene carbonate solvents; cobalt lithium oxide cathode, carbon anode; layered separator POLICELL TECHNOLOGIES, INC. 2005-06-09 US claimed
JP-61100577-A None JP disclosed
EP-3433250-B1 HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-09-08 EP disclosed
CN-104470899-B The 4 isoquinolinol compounds as HIF hydroxylase inhibitors 菲布罗根有限公司 2017-12-26 CN disclosed
US-20150283092-A1 DRUG DELIVERY COMPOSITION ALKERMES PHARMA IRELAND LTD (IE) 2015-10-08 US disclosed
CN-104470899-A 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors FIBROGEN INC 2015-03-25 CN disclosed
EP-2416764-A1 DRUG DELIVERY COMPOSITION Alkermes Pharma Ireland Limited (IE) 2012-02-15 EP disclosed
EP-2416782-A1 CONTROLLED-RELEASE CLOZAPINE COMPOSITIONS Alkermes Pharma Ireland Limited (IE) 2012-02-15 EP disclosed
WO-2010118232-A1 CONTROLLED-RELEASE CLOZAPINE COMPOSITIONS ELAN PHARMA INTERNATIONAL LIMITED (IE) 2010-10-14 WO disclosed
WO-2010118228-A1 DRUG DELIVERY COMPOSITION ELAN PHARMA INTERNATIONAL LIMITED (IE) 2010-10-14 WO disclosed
EP-0169105-B1 CONTROLLED POROSITY OSMOTIC PUMP MERCK & CO. INC. (US) 1991-08-07 EP disclosed
US-4968507-A SUSTAINED RELEASE OF DRUG MERCK & CO., INC. (US) 1990-11-06 US disclosed
US-4886668-A CONTROLLED RELEASE OF DILTIAZEM L-MALEATE MERCK & CO., INC. (US) 1989-12-12 US disclosed
US-4880631-A DILTIAZEM MALATE WITH SODIUM BITARTRATE BUFFER CORE, POLYMER MERCK & CO., INC. (US) 1989-11-14 US disclosed
US-4851228-A Multiparticulate controlled porosity osmotic MERCK & CO., INC. (US) 1989-07-25 US disclosed
EP-0309051-A1 Controlled porosity osmotic pump MERCK & CO. INC. (US) 1989-03-29 EP disclosed
JP-S61100577-A PRODUCTION OF AMINOFURANONE SAGAMI CHEM RES CENTER 1986-05-19 JP disclosed
EP-0169105-A2 Controlled porosity osmotic pump MERCK & CO. INC. (US) 1986-01-22 EP disclosed
US-4256108-A Microporous-semipermeable laminated osmotic system ALZA CORPORATION (US) 1981-03-17 US disclosed
US-4240961-A Synthesis of 2-piperazinones and 1,4-diaza-2-keto-cycloheptanes THE B. F. GOODRICH COMPANY (US) 1980-12-23 US disclosed