SCHEMBL17128672

SCHEMBL17128672

CC(C)CC(O)O.CC(C)CC(O)O.OCC(CO)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 4/20 0.35
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 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
SCHEMBL2420109 0.82
Isopropyl Alcohol SCHEMBL28439673 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTDP1MAPK1
Isobutanol SCHEMBL30450802 0.76 TSHR (0.64) ALDH1A1TSHRTDP1
Propylene Glycol SCHEMBL694327 0.73 TDP1 (0.67) ALDH1A1TSHRTDP1MAPK1
SCHEMBL17128670 0.73 TSHR (0.39) ALDH1A1TSHRTDP1
SCHEMBL28222497 0.69 ALDH1A1 (0.37) ALDH1A1TSHRTDP1MAPK1
SCHEMBL21462142 0.69 TSHR (0.39) ALDH1A1TSHRTDP1
SCHEMBL3818495 0.69 TSHR (0.39) ALDH1A1TSHRTDP1
Ethane SCHEMBL11686899 0.67 ALDH1A1 (0.47) ALDH1A1TSHR
Methyl Alcohol SCHEMBL28097701 0.67 ALDH1A1 (0.47) ALDH1A1TSHR

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
US-9149968-B2 Method for producing molded parts from a polyoxymethylene polymer BASF SE (DE) 2015-10-06 US disclosed