SCHEMBL1024002

SCHEMBL1024002

C=C(C)C(=O)OC([O])C1CO1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.34

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
SCHEMBL950902 0.82 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL29090526 0.82 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL756411 0.81 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL10868970 0.81 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL28977132 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL1277309 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL9615799 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL28832866 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL19549644 0.79 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL8469871 0.78 ALDH1A1 (0.47) 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-2449616-B1 PARTICLES COATED WITH AN ORGANICALLY MODIFIED (HETERO)SILICIC ACID POLYCONDENSATE AND CONTAINING A METAL CORE SUITED FOR STORING HYDROGEN, BATTERIES PRODUCED THEREWITH, AND METHOD FOR THE PRODUCTION THEREOF USING THE PARTICLES FRAUNHOFER GES FORSCHUNG (DE) 2014-08-06 EP disclosed
EP-2449616-A1 PARTICLES COATED WITH AN ORGANICALLY MODIFIED (HETERO)SILICIC ACID POLYCONDENSATE AND CONTAINING A METAL CORE SUITED FOR STORING HYDROGEN, BATTERIES PRODUCED THEREWITH, AND METHOD FOR THE PRODUCTION THEREOF USING THE PARTICLES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2012-05-09 EP disclosed
WO-2011000828-A1 PARTICLES COATED WITH AN ORGANICALLY MODIFIED (HETERO)SILICIC ACID POLYCONDENSATE AND CONTAINING A METAL CORE SUITED FOR STORING HYDROGEN, BATTERIES PRODUCED THEREWITH, AND METHOD FOR THE PRODUCTION THEREOF USING THE PARTICLES FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2011-01-06 WO disclosed
US-20040161445-A1 Hearing aid or hearing aid components for placement in the auditory canal and/or the auricle of a wearer AS AUDIO SERVICE GMBH 2004-08-19 US disclosed