SCHEMBL22417596

SCHEMBL22417596

C=C(C)C(=O)OCC(COC(=O)C(C)(C)CC(=C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)C(=C)C)OC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ PRKCA P17252 1/20 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
SCHEMBL11920352 0.95 TSHR (0.44) TSHRPRKCA
SCHEMBL21905518 0.89 TSHR (0.39) TSHRPRKCA
SCHEMBL22475351 0.86 AR (0.39) TSHRPRKCA
SCHEMBL21907146 0.85 TSHR (0.32) TSHR
SCHEMBL15894729 0.84 TSHR (0.44) TSHRPRKCA
SCHEMBL14729534 0.81 TSHR (0.37) TSHRPRKCA
SCHEMBL12793095 0.81 TSHR (0.46) TSHRPRKCA
SCHEMBL18269755 0.81 TSHR (0.46) TSHR
SCHEMBL18269754 0.81 TSHR (0.46) TSHR
SCHEMBL11920346 0.81 TSHR (0.46) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2965742-B1 DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT 3M INNOVATIVE PROPERTIES CO (US) 2020-09-09 — — EP disclosed
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