SCHEMBL10065737

SCHEMBL10065737

C=C(C)C(=O)OC(CC(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.32

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
SCHEMBL23494391 0.82 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL15836464 0.81 TSHR (0.33) TSHRALDH1A1
SCHEMBL85926 0.81 TSHR (0.33) TSHRALDH1A1
SCHEMBL10734276 0.81 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL12957656 0.79 TSHR (0.39) TSHR
SCHEMBL18056095 0.79 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL23493881 0.79 ALDH1A1 (0.40) TSHRALDH1A1THRB
SCHEMBL13700520 0.78 TSHR (0.42) TSHRTHRB
SCHEMBL23494139 0.78 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL19493477 0.78

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
WO-2017071806-A1 ENVIRONMENTALLY FRIENDLY COATING AGENT ELANTAS ITALIA S.R.L. (IT) 2017-05-04 WO disclosed
EP-3101171-A1 MALODOR COUNTERACTING COMPOSITIONS International Flavors & Fragrances Inc. (US) 2016-12-07 EP disclosed
US-20120009385-A1 RESIN COMPLEX AND LAMINATE FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed
EP-2259137-A1 ORIGINAL PLATE FOR LITHOGRAPHIC PRINTING PLATE, AND METHOD FOR PRODUCTION OF LITHOGRAPHIC PRINTING PLATE USING THE SAME FUJIFILM Corporation (JP) 2010-12-08 EP disclosed