SCHEMBL1289822

SCHEMBL1289822

CC(O)[CH]C(N)=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
SCHEMBL293116 0.78
SCHEMBL9815124 0.73
SCHEMBL3195573 0.73
SCHEMBL3789962 0.73
SCHEMBL5093472 0.73
SCHEMBL8413483 0.71
SCHEMBL20197695 0.71
SCHEMBL2354839 0.71
SCHEMBL14520488 0.71
SCHEMBL2354840 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041329-A1 COMBINATION THERAPY FOR TREATING OR PREVENTING DEPRESSION OR OTHER MOOD DISEASES YALE UNIVERSITY (US) 2020-02-27 WO claimed
US-20090005419-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US claimed
EP-1859278-A1 METHOD FOR THE SCREENING OF COMPOUNDS THAT MODULATE THE INTERACTION BETWEEN MRNA AND PROTEINS AND COMPOUNDS OBTAINABLE THEREBY Novartis AG (CH) 2007-11-28 EP claimed
WO-2006094688-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-09-14 WO claimed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP claimed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO claimed
US-9168255-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-10-27 US disclosed
US-20150250789-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-09-10 US disclosed
US-9045435-B2 Quinazoline compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-06-02 US disclosed
EP-2625169-B1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2015-03-25 EP disclosed
US-20130289044-A1 Quinazoline Compounds as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2013-10-31 US disclosed
EP-2625169-A1 QUINAZOLINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2013-08-14 EP disclosed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US disclosed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP disclosed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO disclosed