SCHEMBL6060562

SCHEMBL6060562

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.31
TRPA1 O75762 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28375773 0.85 TSHR (0.41) TSHR
SCHEMBL7058772 0.83 TSHR (0.42) TSHR
SCHEMBL7753852 0.83 TSHR (0.42) TSHR
SCHEMBL9543118 0.83 FPR2 (0.31)
SCHEMBL14224932 0.83 TSHR (0.42) TSHR
SCHEMBL9543124 0.83 FPR2 (0.31)
SCHEMBL14775433 0.81
SCHEMBL14775200 0.81
SCHEMBL14775434 0.79 ALDH1A1 (0.32)
SCHEMBL8499193 0.78 MGAM (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706368-A1 PROCESS FOR PREPARING MONOESTERS 3M Innovative Properties Company (US) 2006-10-04 EP disclosed
WO-2005066108-A1 PROCESS FOR PREPARING MONOESTERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO disclosed