SCHEMBL4492037

SCHEMBL4492037

COCCOC(=O)C(C)OCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DDAH1 O94760 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL18357023 0.84 TSHR (0.39) ALDH1A1TSHRCA12CA1CA2
SCHEMBL9937652 0.80 TSHR (0.37) ALDH1A1TSHRCA12CA1CA2
SCHEMBL9312771 0.79 SMN1; SMN2 (0.38) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6903242 0.78 ALDH1A1 (0.39) ALDH1A1TSHRHCAR2
SCHEMBL6934591 0.77 TSHR (0.41) ALDH1A1TSHRCA12CA1CA2
SCHEMBL18357107 0.77 TSHR (0.41) ALDH1A1TSHRCA12CA1CA2
SCHEMBL22689561 0.76 ALDH1A1 (0.38) ALDH1A1TSHRDDAH1
SCHEMBL9938176 0.74 HTT (0.38) TSHRCA12CA1CA2CA9
SCHEMBL15342848 0.74 TSHR (0.42) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6522606 0.72 TSHR (0.37) ALDH1A1TSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104714-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M Innovative Properties Company (US) 2009-09-30 EP claimed
WO-2008079800-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-03 WO claimed