SCHEMBL3136008

SCHEMBL3136008

CC(=O)OC1CC(C)(C)C(C#CC(C)=CCO)=C(C)C1=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
SCHEMBL3136005 1.00
SCHEMBL3136770 0.82 MAPT (0.39)
SCHEMBL3136775 0.82 MAPT (0.39)
SCHEMBL3131652 0.81
SCHEMBL3131655 0.81
Acetic Acid SCHEMBL11535305 0.76 FFAR1 (0.31)
SCHEMBL11432417 0.73 FFAR1 (0.32)
SCHEMBL3139032 0.73 MAPT (0.46)
SCHEMBL3139037 0.73 MAPT (0.46)
SCHEMBL11273701 0.71 MAPT (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697388-B1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF SE (DE) 2010-07-21 EP disclosed
US-7547807-B2 Method for producing phosphonium salts BASF SE (DE) 2009-06-16 US disclosed
US-20070123726-A1 Method for producing phosphonium salts BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) 2007-05-31 US disclosed
EP-1697388-A1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2006-09-06 EP disclosed
WO-2005058924-A1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2005-06-30 WO disclosed