SCHEMBL5868544

SCHEMBL5868544

CC=CC(O)CC(C)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5868542 1.00
SCHEMBL500323 0.83
SCHEMBL11547948 0.83
SCHEMBL500324 0.83
SCHEMBL11548944 0.83
SCHEMBL5868512 0.79
SCHEMBL466685 0.78
SCHEMBL466684 0.78
SCHEMBL10490587 0.77 TSHR (0.35)
SCHEMBL27570344 0.77

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 55 patents — showing the first 20. 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
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
US-20020160926-A1 Concentrated, stable, preferably clear, fabric softening composition TRINH TOAN (US) 2002-10-31 US claimed
US-6369025-B1 USEFUL FOR SOFTENING CLOTH THE PROCTER & GAMBLE COMPANY 2002-04-09 US claimed
US-6323172-B1 AQUEOUS COMPOSITION COMPRISING FABRIC SOFTENER, SELECTED PRINCIPAL SOLVENT, LOW MOLECULAR WEIGHT WATER SOLUBLE SOLVENT TO IMPROVE CLARITY, WATER SOLUBLE CALCIUM AND/OR MAGNESIUM SALT THE PROCTER & GAMBLE COMPANY 2001-11-27 US claimed
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP claimed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US claimed
WO-1998017756-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO claimed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO claimed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
US-20250237017-A1 NON-SHEAR SENSITIVE SURFACE SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2025-07-24 US disclosed
US-20060058216-A1 Concentrated, stable, preferably clear, fabric softening composition TRINH TOAN 2006-03-16 US disclosed
US-20060058215-A1 Concentrated, stable, preferably clear, fabric softening composition TRINH TOAN 2006-03-16 US disclosed
WO-1998003619-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION AND HIGHLY UNSATURATED FABRIC SOFTENER COMPOUND THEREFOR THE PROCTER & GAMBLE COMPANY (US) 1998-01-29 WO disclosed
WO-1998002513-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1998-01-22 WO disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed