Vanillin

Vanillin

SCHEMBL8740773

C=CC.CCOC(C)OCC.COc1cc(C=O)ccc1O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
TRIM24 O15164 1/20 0.64
ALDH5A1 P51649 1/20 0.64
ABAT P80404 1/20 0.64
TRIM33 Q9UPN9 1/20 0.64
TRPA1 O75762 1/20 0.52
AOX1 Q06278 1/20 0.49
MAOB P27338 2/20 0.48
XDH P47989 1/20 0.48
TYR P14679 2/20 0.48
TSHR P16473 3/20 0.46
EP300 Q09472 3/20 0.46
CYP2D6 P10635 3/20 0.46
APP P05067 3/20 0.46
CYP2C9 P11712 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX5 P09917 2/20 0.46

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
Vanillin SCHEMBL8740783 0.95 ALDH1A1 (0.68) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL705158 0.95 ALDH1A1 (0.71) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL8740810 0.92 ALDH1A1 (0.68) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL3276975 0.91 ALDH1A1 (0.66) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL4665476 0.90 ALDH1A1 (0.64) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL4665586 0.89 ALDH1A1 (0.62) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL118411 0.89 ALDH1A1 (0.62) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL432750 0.89 ALDH1A1 (0.62) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL11130854 0.88 ALDH1A1 (0.61) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Vanillin SCHEMBL15259680 0.86 ALDH1A1 (0.86) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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-5626852-A HYDROLYSIS OF ACETAL AND/OR KETAL THE MENNEN COMPANY (US) 1997-05-06 US claimed
EP-0625905-A4 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE. MENNEN CO (US) 1997-02-26 EP claimed
EP-0625905-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-11-30 EP claimed
WO-1994006441-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-03-31 WO claimed
US-5626852-A HYDROLYSIS OF ACETAL AND/OR KETAL THE MENNEN COMPANY (US) 1997-05-06 US disclosed
EP-0625905-A4 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE. MENNEN CO (US) 1997-02-26 EP disclosed
US-5378468-A Orthoester which produces a fragrant material by hydrolysis at the ph of the skin when applied; deodorant sticks THE MENNEN COMPANY (US) 1995-01-03 US disclosed
EP-0625905-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-11-30 EP disclosed
WO-1994006441-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-03-31 WO disclosed