SCHEMBL1574101

SCHEMBL1574101

CC(C)CCOCOC=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL29227586 0.80 ALDH1A1 (0.44) ALDH1A1TDP1CA12CA1CA2
SCHEMBL93241 0.80
SCHEMBL29115033 0.78
SCHEMBL6179192 0.77 ALDH1A1 (0.43) ALDH1A1TDP1CA12CA1CA2
SCHEMBL693825 0.76
SCHEMBL8847733 0.74 CA12 (0.37) ALDH1A1TDP1CA12CA1CA2
SCHEMBL514889 0.73
SCHEMBL8661663 0.72
SCHEMBL1192112 0.71
SCHEMBL2559786 0.71

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-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP claimed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed