SCHEMBL4062152

SCHEMBL4062152

CC(=O)C(C)=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
SCHEMBL14439107 1.00
SCHEMBL4651438 1.00
SCHEMBL5894 0.80
SCHEMBL623108 0.80 HTT (0.45)
SCHEMBL27531633 0.80 HTT (0.45)
SCHEMBL623803 0.80 HTT (0.45)
SCHEMBL5893 0.80
SCHEMBL28517 0.80
SCHEMBL10426822 0.80
SCHEMBL6040109 0.80 HTT (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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032620-B1 STABLE COMPOSITION FOR THE CHEMICAL GRAFTING OF AN INORGANIC OR ORGANIC FILLER ONTO A POLYMER AND GRAFTING PROCESS USING SAID COMPOSITION GTI PROCESS (FR) 2009-10-21 EP claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-101415808-B Method for selectively removing safrole from myristica oil REYNOLDS TOBACCO CO R 2011-10-05 CN disclosed
CN-101415808-A Method for selectively removing safrole from myristica oil REYNOLDS TOBACCO CO R (US) 2009-04-22 CN disclosed
EP-1294705-B1 SYNTHESIS OF CYCLIC COMPOUNDS BIOSIGNAL LTD (AU) 2008-09-10 EP disclosed
US-6958145-B2 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2005-10-25 US disclosed
EP-1294705-A4 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LTD (AU) 2005-02-09 EP disclosed
US-20040110966-A1 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2004-06-10 US disclosed
EP-1294705-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2003-03-26 EP disclosed
WO-2002000639-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2002-01-03 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed