SCHEMBL24898908

SCHEMBL24898908

CC(=O)O[C@@H](C)C1CC(C)(C)C(C)C1C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL24942551 1.00 TSHR (0.34) TSHR
SCHEMBL18392868 0.71
SCHEMBL19638262 0.67 CYP3A4 (0.36) TSHR
SCHEMBL24918456 0.66 CES2 (0.33)
SCHEMBL6050318 0.64
SCHEMBL24942763 0.63 CYP3A4 (0.31)
SCHEMBL1301603 0.63 CYP3A4 (0.31)
SCHEMBL22608006 0.63 CYP3A4 (0.31)
SCHEMBL19651889 0.63 CYP3A4 (0.31)
SCHEMBL21963679 0.63 TSHR (0.44) 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-4119537-A1 VINYLETHER COMPOUNDS, ALDEHYDE COMPOUND, PROCESS FOR PREPARING THE ALDEHYDE COMPOUND AND A CARBOXYLATE COMPOUND THEREFROM Shin-Etsu Chemical Co., Ltd. (JP) 2023-01-18 EP disclosed