SCHEMBL698792

SCHEMBL698792

[CH2]COC(=O)C(C)CC

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
SCHEMBL28320864 0.81 ALDH1A1 (0.40)
Ethylene SCHEMBL26696549 0.80 ALDH1A1 (0.43)
SCHEMBL118486 0.79
SCHEMBL13586931 0.79 ALDH1A1 (0.35)
SCHEMBL280605 0.79
SCHEMBL8954889 0.79
SCHEMBL13667079 0.79 ALDH1A1 (0.37)
SCHEMBL31352637 0.79 ALDH1A1 (0.48)
SCHEMBL10682286 0.78 ALDH1A1 (0.35)
SCHEMBL513726 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513016-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1992-11-19 EP claimed
EP-0500621-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1992-09-02 EP claimed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
EP-0602025-A1 N-(1-(2-CARBOXYETHYL)CYCLOALKYL CARBONYL)-BETA-ALANINE DERIVATIVES FOR PHARMACEUTICAL USE Pfizer Limited (GB) 1994-06-22 EP disclosed
EP-0598754-A1 INDOLES Pfizer Limited (GB) 1994-06-01 EP disclosed
EP-0500621-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1992-09-02 EP disclosed