SCHEMBL7062564

SCHEMBL7062564

C1CCOCC1.OC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.42

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
SCHEMBL4636343 0.95 TSHR (0.53) ALDH1A1TSHR
SCHEMBL524953 0.88
SCHEMBL31522061 0.88
SCHEMBL1559927 0.88
Cyclooctanol SCHEMBL973081 0.88 TSHR (0.59) ALDH1A1TSHR
Cyclohexanol SCHEMBL973289 0.88 TSHR (0.59) ALDH1A1TSHR
SCHEMBL8192368 0.87
SCHEMBL40046 0.87
Cyclopentanol SCHEMBL971085 0.85 TSHR (0.62) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL3673085 0.84

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-1027316-B1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INST TECHNOLOGY (US) 2003-05-21 EP disclosed
EP-1254884-A2 Preparation of vinyl ethers from alcohols and alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-11-06 EP disclosed
EP-1245553-A2 Palladium-catalysed synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-02 EP disclosed