SCHEMBL318974

SCHEMBL318974

C/C=C(\CC)C(C)=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
SCHEMBL318975 1.00
SCHEMBL12872174 1.00
SCHEMBL11002598 0.78 ALDH1A1 (0.39)
SCHEMBL11002604 0.78 ALDH1A1 (0.39)
SCHEMBL14464086 0.77 ALDH1A1 (0.40)
SCHEMBL10062287 0.77
SCHEMBL2539177 0.75 ALDH1A1 (0.31)
SCHEMBL3600650 0.75
SCHEMBL9513753 0.75
SCHEMBL18699251 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed
US-20090082591-A1 METHODS FOR PREPARING SULFONAMIDE COMPOUNDS WYETH (US) 2009-03-26 US disclosed
US-7476762-B2 Methods for preparing sulfonamide compounds WYETH (US) 2009-01-13 US disclosed
US-20070249723-A1 Methods for preparing sulfonamide compounds WYETH (US) 2007-10-25 US disclosed
US-4863926-A ANTICOAGULANTS, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
US-4782088-A HYPOTENSIVE, ANTITHROMBOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 US disclosed
US-4778804-A ANTICOAGULANTS, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
US-4767768-A ANTITHROMBIC, HYPOTENSIVE; OXIME-SUBSTITUTED FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
EP-0113106-B1 NEW NITRO ALIPHATIC COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0113106-A1 New nitro aliphatic compounds, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-11 EP disclosed