SCHEMBL5163855

SCHEMBL5163855

CC(C)CC(C)OCCCCOC(C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
DNM1 Q05193 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
SCHEMBL1883777 0.88 DNM1 (0.47) DNM1
SCHEMBL2330968 0.88 DNM1 (0.47) DNM1
SCHEMBL1411254 0.88 DNM1 (0.47) DNM1
SCHEMBL1411286 0.88 DNM1 (0.47) DNM1
SCHEMBL8605070 0.88 LMNA (0.39) ALDH1A1
SCHEMBL18959857 0.87 CYP3A4 (0.37) ALDH1A1TSHRDNM1
SCHEMBL18883368 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18883364 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL17048655 0.85
SCHEMBL14321293 0.85 TSHR (0.30) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753500-B1 Process for producing ether compound KAO CORP (JP) 2007-03-07 EP disclosed
US-5914430-A REACTING A HYDROXY COMPOUND AND A CARBONYL COMPOUND UNDER HYDROGEN ATMOSPHERE USING CATALYST, REMOVING WATER KAO CORPORATION (JP) 1999-06-22 US disclosed
EP-0753500-A2 Process for producing ether compound KAO CORPORATION (JP) 1997-01-15 EP disclosed