SCHEMBL30120149

SCHEMBL30120149

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.30

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
SCHEMBL19017733 0.83 MAPK1 (0.32) TSHRMAPK1
SCHEMBL6913725 0.77 TSHR (0.35) TSHRMAPK1
SCHEMBL21074655 0.76
SCHEMBL1530160 0.74
SCHEMBL11226641 0.73 DPP4 (0.31) TSHR
SCHEMBL699111 0.72 TSHR (0.33) TSHR
SCHEMBL6915458 0.72
SCHEMBL4195455 0.72
SCHEMBL6082935 0.67
SCHEMBL3141382 0.65

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
WO-2022255037-A1 NOVEL AMINO COMPOUND AND METHOD FOR PRODUCING SAME, AND EPOXY RESIN CURING AGENT, EPOXY REIN COMPOSITION AND EPOXY RESIN CURED PRODUCT USING SAME 三菱瓦斯化学株式会社 2022-12-08 WO disclosed