SCHEMBL465238

SCHEMBL465238

CC(=O)CCC(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
SCHEMBL1262747 0.86 ALDH1A1 (0.39)
SCHEMBL173083 0.80
SCHEMBL13176643 0.80
2-Methylpentanal SCHEMBL15789794 0.79 CES1 (0.39)
SCHEMBL12556842 0.78
SCHEMBL18092214 0.78
SCHEMBL13822520 0.78 ALDH1A1 (0.41)
SCHEMBL8011217 0.78
SCHEMBL11870730 0.78
SCHEMBL15874792 0.78 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089127-B1 Copper complexes and their use as wood preservatives EI DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 US claimed
US-8889038-B1 Wood preservatives containing copper complexes E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US claimed
JP-2009522298-A 2009-06-11 JP claimed
JP-2009522299-A 2009-06-11 JP claimed
JP-2009522297-A 2009-06-11 JP claimed
EP-1555878-B1 COPPER COMPLEXES AND THEIR USE AS WOOD PRESERVATIVES DU PONT (US) 2009-04-08 EP claimed
US-7497901-B2 Tungstate and molybate wood preservatives E. I. DUPONT DE NEMOURS AND COMPANY (US) 2009-03-03 US claimed
US-7462227-B2 Ibuprofen complexes as wood preservatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-09 US claimed
EP-1976380-A2 IBUPROFEN COMPLEXES AS WOOD PRESERVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-08 EP claimed
EP-1976379-A2 TROPOLONE COMPLEXES AS WOOD PRESERVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-08 EP claimed
WO-2007079212-A2 TROPOLONE COMPLEXES AS WOOD PRESERVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 WO claimed
WO-2007079211-A2 IBUPROFEN COMPLEXES AS WOOD PRESERVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 WO claimed
WO-2007079210-A2 TUNGSTATE AND MOLYBDATE WOOD PRESERVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 WO claimed
US-20070157847-A1 Tropolone complexes as wood preservatives E.I. DUPONT DE NEMOURS & COMPANY (US) 2007-07-12 US claimed
US-6978724-B2 Copper complexes and their use as wood preservatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-12-27 US claimed
EP-1555878-A2 COPPER COMPLEXES AND THEIR USE AS WOOD PRESERVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-07-27 EP claimed
WO-2004041491-A2 COPPER COMPLEXES AND THEIR USE AS WOOD PRESERVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-05-21 WO claimed
US-20040089196-A1 Copper complexes and their use as wood preservatives DUPONT SAFETY & CONSTRUCTION, INC. 2004-05-13 US claimed
US-4501918-A ALDOL CONDENSATION OF ISOBUTYRALDEHYDE AND ACETONE IN PRESENCE OF BASIC CATALYST, CYCLIC DIMERIZATION, AND REDUCTION INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-02-26 US claimed
US-4493791-A Substituted methyl isopropyl oxocyclohexane derivatives, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-01-15 US claimed