SCHEMBL6557086

SCHEMBL6557086

CCN(CC)CC(C)(O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL5886704 0.81 ALDH1A1 (0.37) PAX8ALDH1A1
SCHEMBL25276314 0.79 MLYCD (0.36) PAX8ALDH1A1
SCHEMBL2079110 0.78 PAX8 (0.31) PAX8
SCHEMBL7767205 0.77 PAX8 (0.32) PAX8
SCHEMBL18065389 0.77 PAX8 (0.32) PAX8
Tert-Butanol SCHEMBL9504370 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL30412178 0.75 ALDH1A1 (0.37) PAX8ALDH1A1
Tert-Butanol SCHEMBL7589852 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9284822 0.73 TSHR (0.38) PAX8ALDH1A1
SCHEMBL11966124 0.73 PAX8 (0.32) PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153052-B1 PROCESS FOR THE PREPARATION OF AN AQUEOUS DISPERSION OF AN ANIONIC POLYURETHANE FREE OF VOLATILE TERTIARY AMINES STAHL INT BV (NL) 2004-12-29 EP claimed