SCHEMBL6916020

SCHEMBL6916020

C=C(C)C(=O)OC1(C)COC(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.33

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
SCHEMBL4150787 0.82 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL27759961 0.80 TSHR (0.34) ALDH1A1TSHR
SCHEMBL27759949 0.77 TSHR (0.39) ALDH1A1TSHR
SCHEMBL29170429 0.75 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL12796097 0.74 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL12796076 0.73 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL28906906 0.73 TSHR (0.36) ALDH1A1TSHR
SCHEMBL4631321 0.71 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL6321804 0.70 TSHR (0.37) ALDH1A1TSHR
SCHEMBL12796090 0.70 ALDH1A1 (0.32) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017747-B1 MATERIALS WHICH CAN BE THERMALLY COATED WITH A POLYMERIZABLE COMPONENT ROEHM GMBH (DE) 2004-11-10 EP disclosed
EP-1426419-A2 Thermically film forming compositions with a polymerisable component (Reactiv plastisols) Röhm GmbH & Co. KG (DE) 2004-06-09 EP disclosed
EP-1017747-A1 MATERIALS WHICH CAN BE THERMALLY COATED WITH A POLYMERIZABLE COMPONENT RÖHM GMBH (DE) 2000-07-12 EP disclosed
WO-1999015592-A1 MATERIALS WHICH CAN BE THERMALLY COATED WITH A POLYMERIZABLE COMPONENT RÖHM GMBH (DE) 1999-04-01 WO disclosed