SCHEMBL7120655

SCHEMBL7120655

CCOC(=O)C(C)O.O=C(O)C12C=CC(CC1)C2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL218875 0.80 GRM2 (0.31) TSHR
SCHEMBL5064896 0.80 GRM2 (0.31) TSHR
SCHEMBL4247811 0.79 OPRM1 (0.33) TSHR
SCHEMBL9094889 0.77
SCHEMBL5961836 0.77
SCHEMBL7157746 0.75
SCHEMBL5918196 0.74 ADORA2B (0.31)
SCHEMBL471996 0.72 L3MBTL1 (0.31) TSHR
SCHEMBL6161155 0.72 OPRM1 (0.35)
SCHEMBL8876149 0.72

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
US-20030078354-A1 Novel beta-oxo compounds and their use in photoresist ARCH SPECIALTY CHEMICALS, INC. (US) 2003-04-24 US disclosed
WO-2002068527-A2 NOVEL β-OXO COMPOUNDS AND THEIR USE IN PHOTORESIST ARCH SPECIALTY CHEMICALS, INC. (US) 2002-09-06 WO disclosed