SCHEMBL8021403

SCHEMBL8021403

CC(C)(C)OO[C]1CCCCCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8765731 1.00 TSHR (0.35) TSHRTDP1
SCHEMBL8765650 0.73
SCHEMBL7009105 0.72
Cyclohexane SCHEMBL10976960 0.69 TSHR (0.73) TSHRTDP1
SCHEMBL28673559 0.66
SCHEMBL5642777 0.62 NUDT1 (0.31)
Cyclohexane SCHEMBL28494941 0.61 TSHR (0.47) TSHRTDP1
SCHEMBL566960 0.61
SCHEMBL2904792 0.61 ALDH1A1 (0.32)
SCHEMBL40787 0.61

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
EP-0970048-A1 T-BUTYLPEROXY-CYCLODODECYL-OXALATE Peroxid-Chemie GmbH & Co. KG. (DE) 2000-01-12 EP claimed
WO-1998039294-A1 T-BUTYLPEROXY-CYCLODODECYL-OXALATE PEROXID-CHEMIE GMBH & CO. KG (DE) 1998-09-11 WO claimed