SCHEMBL7124698

SCHEMBL7124698

CC(O)(CO)OC1=CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL873374 0.77
SCHEMBL2849744 0.75 P2RX7 (0.31)
Boric Acid SCHEMBL27905694 0.74 HDAC4 (0.30)
Water SCHEMBL11062383 0.73
Boric Acid SCHEMBL27890403 0.72
SCHEMBL28545091 0.70
SCHEMBL17970626 0.69
SCHEMBL28472057 0.68
Boric Acid SCHEMBL28003083 0.68
SCHEMBL8877766 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US 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
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1998017750-A1 CONCENTRATED, FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed