SCHEMBL1686947

SCHEMBL1686947

C=CC(=O)/C=C/CCC

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
SCHEMBL1686949 1.00
SCHEMBL22729265 0.96 TAS1R3 (0.40)
SCHEMBL22729264 0.96 TAS1R3 (0.40)
SCHEMBL17294082 0.86 TSHR (0.48)
SCHEMBL17294081 0.86 TSHR (0.48)
SCHEMBL9069564 0.85 TAS1R3 (0.48)
SCHEMBL2128303 0.85 TAS1R3 (0.48)
SCHEMBL5925126 0.85 PPARG (0.49)
SCHEMBL23093949 0.83 TSHR (0.52)
SCHEMBL13452505 0.83 TSHR (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6623774-B2 Treating with silica and vacuum steam deordorizing in the presence of rosemary or sage extract ROCHE VITAMINS INC. 2003-09-23 US claimed
EP-2111765-B1 Hoodia plant extract with improved flavor UNILEVER NV (NL) 2013-01-16 EP disclosed
US-7923435-B2 Hoodia plant extract with improved flavor PHYTOPHARM PLC (GB) 2011-04-12 US disclosed
EP-2111763-A1 Process of making hoodia plant extract with improved flavor UNILEVER N.V. (NL) 2009-10-28 EP disclosed
EP-2111765-A1 Hoodia plant extract with improved flavor UNILEVER N.V. (NL) 2009-10-28 EP disclosed
US-20090264376-A1 Hoodia plant extract with improved flavor CONOPCO, INC., D/B/A UNILEVER 2009-10-22 US disclosed
US-20090263510-A1 Process of making Hoodia plant extract with improved flavor CONOPCO, INC., D/B/A UNILEVER 2009-10-22 US disclosed
US-6623774-B2 Treating with silica and vacuum steam deordorizing in the presence of rosemary or sage extract ROCHE VITAMINS INC. 2003-09-23 US disclosed
US-5124489-A Process for preparing phenethanol ethers by the reduction of corresponding phenylglyoxal acetals HOECHST CELANESE CORPORATION (US) 1992-06-23 US disclosed