SCHEMBL4227436

SCHEMBL4227436

CC1=C[C](O)C(C(C)C)C=C1

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
SCHEMBL19181458 0.64
SCHEMBL28172804 0.58
SCHEMBL7511449 0.57
SCHEMBL9967881 0.56
SCHEMBL27490949 0.56
SCHEMBL7481288 0.56
Hydrochloric Acid SCHEMBL5791995 0.55
Alpha-Phellandrene SCHEMBL22497679 0.55 USP2 (0.32)
SCHEMBL18811895 0.52
SCHEMBL18380858 0.52

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-6177389-B1 Detergent compositions comprising orthocarbonate pro-fragrances THE PROCTER & GAMBLE COMPANY 2001-01-23 US claimed
EP-0977548-B2 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2008-03-26 EP disclosed
EP-0977830-B1 PERSONAL CARE COMPOSITION COMPRISING ORTHOCARBONATE PRO-FRAGRANCES PROCTER & GAMBLE (US) 2005-12-28 EP disclosed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP disclosed
US-6677491-B2 FRAGRANCE DELIVERY SYSTEM FOR USE IN LAUNDRY DETERGENT COMPOSITIONS INCLUDING RINSE-ADDED AND DRYER-ADDED FABRIC CONDITIONING COMPOSITIONS WHICH PROVIDES A LONG LASTING ?FRESHNESS? OR ?CLEAN? SCENT TO FABRIC. PROCTER & GAMBLE COMPANY 2004-01-13 US disclosed
US-20030032565-A1 Pro-fragrance linear acetals and ketals SIVIK MARK ROBERT (US) 2003-02-13 US disclosed
EP-0991615-B1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS PROCTER & GAMBLE (US) 2002-08-14 EP disclosed
US-6395695-B1 LAUNDRY DETERGENT THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
EP-0918835-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS PROCTER & GAMBLE (US) 2002-01-16 EP disclosed
US-6316397-B1 FABRICS FOR AUTOMATIC LAUNDRY DRYERS WITH FRAGRANCES THE PROCTER & GAMBLE CO. 2001-11-13 US disclosed
US-6114302-A STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-05 US disclosed
US-6087322-A Fragrance pro-accords THE PROCTER & GAMBLE COMPANY (US) 2000-07-11 US disclosed
US-6077821-A FOR USE IN DELIVERING SUSTAINED RELEASE OR ENHANCED LONGEVITY FRAGRANCES TO A VARIETY OF PERSONAL CARE AND PERSONAL HYGIENE PRODUCTS INTER ALIA DEODORANTS, BODY LOTIONS OR CREAMS, AND SHAMPOOS THE PROCTER & GAMBLE COMPANY (US) 2000-06-20 US disclosed
EP-0977830-A1 ORTHOCARBONATE PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
EP-0977548-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
US-6013618-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS PROCTER & GAMBLE COMPANY (US) 2000-01-11 US disclosed
US-5919752-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. PROCTER & GAMBLE (US) 1999-07-06 US disclosed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047995-A1 ORTHOCARBONATE PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed