SCHEMBL442853

SCHEMBL442853

NC[CH]CC(=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
SCHEMBL1573678 0.79
SCHEMBL6544665 0.73
SCHEMBL6545188 0.73
SCHEMBL147664 0.71
Allylamine SCHEMBL9782543 0.71 ALDH1A1 (0.50)
SCHEMBL3513405 0.71
Bicarbonate SCHEMBL8069099 0.69 GABRR1 (0.45)
SCHEMBL285045 0.69
SCHEMBL444666 0.67
SCHEMBL8483541 0.67 ALDH1A1 (0.45)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065265-A1 ALPHA-2-DELTA LIGANDS FOR NON-RESTORATIVE SLEEP PFIZER INC. 2012-03-15 US disclosed
US-20090069427-A1 ALPHA-2-DELTA LIGANDS FOR NON-RESTORATIVE SLEEP PFIZER INC. 2009-03-12 US disclosed
EP-1993529-A1 ALPHA-2-DELTA LIGANDS FOR NON-RESTORATIVE SLEEP Pfizer Products Inc. (US) 2008-11-26 EP disclosed
WO-2007102058-A1 ALPHA-2-DELTA LIGANDS FOR NON-RESTORATIVE SLEEP PFIZER PRODUCTS INC. (US) 2007-09-13 WO disclosed
EP-0000107-B1 METALLIC OR METALLISED ARTICLE COATED WITH A POLYPHENYLENE OXIDE FILM CARRYING REACTIVE GROUPS, ITS ELECTROCHEMICAL PREPARATION AND ITS USE ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1980-07-23 EP disclosed
EP-0000107-A1 Metallic or metallised article coated with a polyphenylene oxide film carrying reactive groups, its electrochemical preparation and its use ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1978-12-20 EP disclosed