SCHEMBL8529544

SCHEMBL8529544

CCCC(C)C(C)(O)CO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 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
SCHEMBL8635500 0.82 TSHR (0.36) TSHR
SCHEMBL5468646 0.80 TSHR (0.35) TSHR
SCHEMBL8370061 0.79
SCHEMBL1027361 0.77 TSHR (0.42) TSHRLMNA
SCHEMBL987286 0.76
SCHEMBL16330822 0.76
SCHEMBL1123761 0.76
SCHEMBL16074672 0.75 TSHR (0.36) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL8624733 0.75 TSHR (0.36) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL5412610 0.74 TSHR (0.43) TSHRCHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN 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
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
US-4801759-A SAPONIFICATION OF EPOXIDES, ACID CATALYST DEGUSSA AKTIENGESELLSCHAFT (DE) 1989-01-31 US disclosed