SCHEMBL4784890

SCHEMBL4784890

CC(C)C1(C)CC(=O)CC(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL8119433 0.76 TSHR (0.31) TSHR
SCHEMBL17790435 0.75
SCHEMBL5856356 0.72 TSHR (0.35) TSHR
SCHEMBL9500035 0.72 TRIM24 (0.32)
SCHEMBL9336430 0.71 ALDH1A1 (0.47) TSHR
SCHEMBL123127 0.71 ALDH1A1 (0.47) TSHR
Iodide SCHEMBL2127044 0.69 ALDH1A1 (0.45) TSHR
SCHEMBL309527 0.69 ALDH1A1 (0.45) TSHR
Water SCHEMBL4753900 0.69 ALDH1A1 (0.45) TSHR
Bromide SCHEMBL7687601 0.69 ALDH1A1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099019-A1 6-HYDROXY-DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
WO-2008099019-A1 6-HYDROXY-DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed