SCHEMBL6945178

SCHEMBL6945178

CC(C)C(C)(C)N.COS(=O)(=O)O

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL1878666 0.88 CA1 (0.33) CA2CA1
SCHEMBL15825612 0.82
SCHEMBL1229992 0.81 CA2 (0.40) CA2CA1USP2TSHR
SCHEMBL14718584 0.81 CYP1A2 (0.31)
SCHEMBL7063887 0.81 CYP1A2 (0.31)
Isopropylamine SCHEMBL27687055 0.78 CA2 (0.42) CA2CA1CA12CA14USP2
SCHEMBL27943707 0.78 CA2 (0.42) CA2CA1CA12CA14USP2
SCHEMBL17746610 0.78 CA1 (0.33) CA2CA1
SCHEMBL1878667 0.78 CA1 (0.33) CA2CA1
SCHEMBL7063650 0.78 CA2 (0.31) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946699-B1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY PROCTER & GAMBLE (US) 2003-10-15 EP disclosed
US-6277796-B1 ACETAL COMPOUND THE PROCTER & GAMBLE COMPANY 2001-08-21 US disclosed
EP-0946705-A2 DRYER ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-10-06 EP disclosed
EP-0946699-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1999-10-06 EP disclosed
EP-0946700-A1 RINSE-ADDED AND DRYER-ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF ESTER FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-10-06 EP disclosed
US-5830835-A FABRIC SOFTENER, PERFUME ESTER MIXTURES PROCTER & GAMBLE COMPANY (US) 1998-11-03 US disclosed
WO-1998027192-A2 DRYER ADDED FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-06-25 WO disclosed
WO-1998027191-A1 RINSE-ADDED AND DRYER-ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF ESTER FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-25 WO disclosed
WO-1998027190-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1998-06-25 WO disclosed
EP-0843717-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1998-05-27 EP disclosed
WO-1997003173-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
US-5559088-A DIESTERS OF NON-ALLYLIC ALCOHOLS SLOWLY HYDROLYZE TO RELEASE PERFUME GRADUALLY THE PROCTOR & GAMBLE COMPANY (US) 1996-09-24 US disclosed