SCHEMBL6861822

SCHEMBL6861822

CCC(C)COC(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL19565378 0.87 TSHR (0.37) TSHRALDH1A1CNR1CNR2TDP1
SCHEMBL17103150 0.81 LMNA (0.32) MAPT
SCHEMBL9134724 0.80 TSHR (0.35) TSHRMAPTTDP1
SCHEMBL9134726 0.80 TSHR (0.35) TSHRMAPTTDP1
SCHEMBL5820799 0.79 TSHR (0.31) TSHRMAPT
SCHEMBL5820794 0.79 TSHR (0.31) TSHRMAPT
SCHEMBL3265176 0.78 TSHR (0.36) TSHRMAPTTDP1
SCHEMBL15267750 0.77 ALDH1A1 (0.37) ALDH1A1CNR1CNR2
SCHEMBL11890269 0.76 TSHR (0.44) TSHRALDH1A1CNR1CNR2TDP1
SCHEMBL18416046 0.75 USP2 (0.33) TSHRALDH1A1CNR1CNR2TDP1

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
US-6686331-B2 PRINCIPAL SOLVENTS, ESPECIALLY MONO AND DIOL PRINCIPAL SOLVENTS, HAVING A SPECIFIED CLOGP VALUE, SPECIFIED TYPES OF SOFTENERS SUCH AS VARISOFT?, WATER AND OPTIONAL ADDITIVES; PREMIX THE PROCTER & GAMBLE COMPANY 2004-02-03 US claimed
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
US-6335315-B1 Concentrated fabric softening composition THE PROCTER & GAMBLE COMPANY 2002-01-01 US disclosed
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