SCHEMBL901213

SCHEMBL901213

CC1CCC(C(C)(C)S)C(=O)C1.CC1CCC(C(C)(C)S)C(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.33

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
SCHEMBL15368049 1.00 TLR4 (0.33) TLR4
SCHEMBL712399 1.00 TLR4 (0.33) TLR4
SCHEMBL111047 1.00 TLR4 (0.33) TLR4
SCHEMBL19296599 1.00 TLR4 (0.33) TLR4
SCHEMBL8336178 0.83 TLR4 (0.35) TLR4
Benzaldehyde SCHEMBL1040837 0.82 ALDH1A1 (0.39)
SCHEMBL31277753 0.79 TLR4 (0.33) TLR4
SCHEMBL31278068 0.79 TLR4 (0.33) TLR4
SCHEMBL11033610 0.79 TLR4 (0.33) TLR4
SCHEMBL31278453 0.79 TLR4 (0.33) TLR4

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-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed