SCHEMBL5690215

SCHEMBL5690215

CCN(CC)C(C)C#CO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32

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
SCHEMBL3720518 0.74 FDPS (0.31) FDPS
SCHEMBL10367451 0.69
SCHEMBL298413 0.69
SCHEMBL949310 0.69
SCHEMBL4277170 0.69
Hydrochloric Acid SCHEMBL10492850 0.67 TSHR (0.35)
Alcohol SCHEMBL6261717 0.65
SCHEMBL4921184 0.63 TSHR (0.41) FDPS
SCHEMBL65283 0.63
SCHEMBL28814076 0.63

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-1642883-A2 Optically active cyclohexylphenylglycolate esters SEPRACOR Inc (US) 2006-04-05 EP disclosed
EP-1185498-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS Sepracor Inc. (US) 2002-03-13 EP disclosed
US-6350714-B1 ACTIVATION GROUP 1B OR 2B METAL OR COMPOUND BY REACTING WITH ALKYNE AND CARBONYL COMPOUND; ALKYNYLATION, AMINOALKYLATION, CATALYSIS BASF AKTIENGESELLSCHAFT (DE) 2002-02-26 US disclosed
WO-2000076490-A2 METHODS AND COMPOSITIONS FOR TREATING URINARY FREQUENCY AND URGENCY USING OPTICALLY PURE (S)-OXYBUTYNIN SEPRACOR INC. (US) 2000-12-21 WO disclosed
WO-2000023414-A2 SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXYLPHENYLGLYCOLIC ACID AND ITS ESTERS SEPRACOR INC. (US) 2000-04-27 WO disclosed