SCHEMBL8414738

SCHEMBL8414738

CCC(O)CC(C)(O)CC.CCCC(C)(O)C(O)CC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL8048977 0.82 TSHR (0.50) TSHR
SCHEMBL5907128 0.82 TSHR (0.38) TSHR
SCHEMBL15892039 0.82 TSHR (0.38) TSHR
SCHEMBL19026873 0.77
Butanal SCHEMBL27423813 0.71 ALDH1A1 (0.43) TSHR
SCHEMBL18759572 0.70 FDPS (0.30)
SCHEMBL28096542 0.70 TSHR (0.46) TSHR
SCHEMBL4951490 0.69
SCHEMBL16074697 0.69 TSHR (0.33) TSHR
SCHEMBL16074682 0.68 TSHR (0.48) 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
EP-0932656-A2 HIGH USAGE OF FABRIC SOFTENER COMPOSITIONS FOR IMPROVED BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1999-08-04 EP disclosed
WO-1998017757-A2 HIGH USAGE OF FABRIC SOFTENER COMPOSITIONS FOR IMPROVED BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed