SCHEMBL20162221

SCHEMBL20162221

CCCCNC(=O)OC=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.59
EPHX1 P07099 3/20 0.53
BCHE P06276 1/20 0.45

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
SCHEMBL7790364 0.83 ACHE (0.59) ACHEEPHX1BCHE
SCHEMBL28396215 0.82 ACHE (0.57) ACHEEPHX1BCHE
SCHEMBL3916781 0.82 ACHE (0.57) ACHEEPHX1BCHE
SCHEMBL10935539 0.80 ACHE (0.55) ACHEEPHX1
SCHEMBL7038585 0.80 EPHX2 (0.46) ACHEEPHX1
SCHEMBL18479704 0.78
SCHEMBL31379789 0.78 ACHE (0.68) ACHEEPHX1
SCHEMBL514302 0.78
SCHEMBL26078534 0.77 ACHE (0.52) ACHEEPHX1
SCHEMBL7966153 0.76 EPHX1 (0.60) ACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515398-A1 METHODS FOR REDUCING SWEAT AND/OR BODY ODOUR USING SPECIFIC ACIDS OR DERIVATIVES THEREOF Henkel AG & Co. KGaA (DE) 2019-07-31 EP disclosed
EP-3322397-A1 METHODS FOR REDUCING SWEAT AND/OR BODY ODOR, USING PHOSPHATE COMPOUNDS Henkel AG & Co. KGaA (DE) 2018-05-23 EP disclosed
EP-3322398-A1 METHODS FOR REDUCING SWEAT AND/OR BODY ODOR, USING PHOSPHATE COMPOUNDS AND ANTIPERSPIRANT ALUMINUM- AND/OR ALUMINUM ZIRCONIUM SALTS Henkel AG & Co. KGaA (DE) 2018-05-23 EP disclosed