SCHEMBL7848633

SCHEMBL7848633

CC(=O)OC(=O)C=C(C)C=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL7848630 1.00 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6969987 0.78
SCHEMBL7553201 0.77
SCHEMBL4800126 0.77
SCHEMBL4800118 0.77
SCHEMBL3326322 0.76
SCHEMBL7595587 0.76 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
Water SCHEMBL28759526 0.76
Methyl Alcohol SCHEMBL7551458 0.75 HCAR2 (0.43) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1248610 0.71 NPSR1 (0.54) ALDH1A1HSD17B10

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-0775111-B1 STABLE VITAMIN A PROCTER & GAMBLE (US) 2001-08-29 EP disclosed
US-5648091-A TOCOPHEROL THE PROCTOR & GAMBLE COMPANY (US) 1997-07-15 US disclosed
EP-0775111-A1 STABLE VITAMIN A THE PROCTER & GAMBLE COMPANY (US) 1997-05-28 EP disclosed
WO-1996004243-A1 STABLE VITAMIN A THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO disclosed
US-5426248-A Purified vitamin A which has been deodorized and degassed by controlled vacuum heating in absence of light and sparging with inert gas, for foods THE PROCTER & GAMBLE COMPANY (US) 1995-06-20 US disclosed