SCHEMBL8529610

SCHEMBL8529610

CCC(CC)OC(CO)CO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15628682 0.94 TSHR (0.38) TSHRMAPTMAPK1LMNATDP1
SCHEMBL13877207 0.94 TSHR (0.38) TSHRMAPTMAPK1LMNATDP1
SCHEMBL325804 0.90 TSHR (0.40) TSHRMAPTMAPK1LMNATDP1
Ethylene Glycol SCHEMBL11858084 0.84 TSHR (0.40) TSHRALDH1A1
SCHEMBL27532678 0.84 TSHR (0.40) TSHRMAPTMAPK1LMNAALDH1A1
SCHEMBL1076490 0.83 TSHR (0.33) TSHRLMNATDP1ALDH1A1
SCHEMBL246513 0.83 TSHR (0.41) TSHR
Propylene Glycol SCHEMBL4452363 0.82 TDP1 (0.56) TSHRLMNATDP1ALDH1A1
SCHEMBL15277676 0.82 TSHR (0.31) TSHR
SCHEMBL20466528 0.80 TSHR (0.39) TSHRTDP1

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 8 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
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed