SCHEMBL8528740

SCHEMBL8528740

CC(C)C(C)OC(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
PRKCA P17252 1/20 0.32

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
SCHEMBL10344859 0.80 TSHR (0.35) TSHRTDP1
SCHEMBL23819364 0.80 TDP1 (0.40) TSHRTDP1
SCHEMBL4125067 0.78 TDP1 (0.38) TSHRTDP1
SCHEMBL13998564 0.77 TSHR (0.37) TSHRTDP1
Propylene Glycol SCHEMBL27780100 0.77 TDP1 (0.59) TSHRTDP1
Ethylene Glycol SCHEMBL17199766 0.75 TSHR (0.33) TSHRTDP1
SCHEMBL17664807 0.75
SCHEMBL18823150 0.74 TSHR (0.35) TSHRTDP1PRKCA
SCHEMBL1076490 0.73 TSHR (0.33) TSHRTDP1
SCHEMBL15426520 0.73 TSHR (0.39) TSHRTDP1PRKCA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed