SCHEMBL7105214

SCHEMBL7105214

CCCCCCCCCCCCCCCCC(N)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.43
FDPS P14324 4/20 0.43
CES2 O00748 4/20 0.39
CES1 P23141 3/20 0.39
GGPS1 O95749 1/20 0.37

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
SCHEMBL6937518 1.00 SMPD1 (0.43) SMPD1FDPSCES2CES1GGPS1
Acetic Acid SCHEMBL4198026 0.95 SMPD1 (0.40) SMPD1FDPSCES2CES1
Cysteamine SCHEMBL5834143 0.91 SMPD1 (0.40) SMPD1FDPSCES2CES1GGPS1
SCHEMBL460223 0.84 FDPS (0.35) FDPS
Dodecanoate SCHEMBL5520168 0.84 GPR84 (0.52)
SCHEMBL20853667 0.77 CES2 (0.41) FDPSCES2CES1GGPS1
SCHEMBL9006248 0.76 BBOX1 (0.34)
SCHEMBL18632608 0.76 CES1 (0.40) CES2CES1GGPS1
SCHEMBL14244446 0.76 CES1 (0.40) CES2CES1GGPS1
Potassium Ion SCHEMBL9124765 0.75 SMPD1 (0.47) SMPD1FDPSCES2CES1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343581-A2 INSTANT WATER DISSOLVABLE ENCAPSULATE AND PROCESS Verion Inc. (US) 2003-09-17 EP disclosed
US-6541030-B2 Subjectign aqueous mixture of a water insoluble core material, a water soluble glucopyranosidyl material, and an emulsifying formulation to a pressure force to form an aqueous micro-emulsion, and removing water to form microcapsules VERION INC. 2003-04-01 US disclosed
WO-2002026372-A2 INSTANT WATER DISSOLVABLE ENCAPSULATE AND PROCESS VERION INC. (US) 2002-04-04 WO disclosed
US-20020037321-A1 Instant water dissolvable encapsulate and process VERION INC. 2002-03-28 US disclosed
US-6225398-B1 DISSOLVING HYDROPHOBIC ACRYLIC POLYOLS BASED ON ALKYL ACRYLATE, HYDROXYALKYL ACRYLATE, ALKYL METHACRYLATE, AND/OR VINYL AROMATIC COMPOUND IN SOLVENT TO FORM VISCOUS POLYMER; POLYISOCYANATE CURED; CLEAR, TOUGH FILMS AND COATINGS HENKEL CORPORATION 2001-05-01 US disclosed
US-4146499-A OIL IN WATER EMULSIONS, MIXTURE OF SURFACTANTS ROSANO HENRI L 1979-03-27 US disclosed