SCHEMBL3372644

SCHEMBL3372644

O[C@@H]1CC[C@@H]2CCCCC2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.42
ALOX5 P09917 1/20 0.34
SLC18A3 Q16572 3/20 0.33
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP3A4 P08684 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
SCHEMBL7377837 1.00 ALDH1A1 (0.47) ALDH1A1TSHRALOX5SLC18A3LMNA
SCHEMBL5708868 1.00 ALDH1A1 (0.47) ALDH1A1TSHRALOX5SLC18A3LMNA
SCHEMBL295551 1.00 ALDH1A1 (0.47) ALDH1A1TSHRALOX5SLC18A3LMNA
SCHEMBL31382808 1.00 ALDH1A1 (0.47) ALDH1A1TSHRALOX5SLC18A3LMNA
SCHEMBL9035146 1.00 ALDH1A1 (0.47) ALDH1A1TSHRALOX5SLC18A3LMNA
SCHEMBL527305 1.00 ALDH1A1 (0.47) ALDH1A1TSHRALOX5SLC18A3LMNA
SCHEMBL17951347 1.00 ALDH1A1 (0.47) ALDH1A1TSHRALOX5SLC18A3LMNA
Methane SCHEMBL22471696 0.97 ALDH1A1 (0.44) ALDH1A1TSHRALOX5SLC18A3
Hydrochloric Acid SCHEMBL27683979 0.97 ALDH1A1 (0.44) ALDH1A1TSHRALOX5SLC18A3
SCHEMBL9909854 0.94 ALDH1A1 (0.39) ALDH1A1TSHRALOX5LMNACYP2C9

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 21 patents — showing the first 20. 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 claimed
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 claimed
CN-114105791-A Novel synthesis method of 1, 4-diaminoanthraquinone-2-carboxylic acid decahydro-2-naphthyl ester 烟台丰鲁精细化工有限责任公司 2022-03-01 CN disclosed
EP-0955994-B1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES PROCTER & GAMBLE (US) 2010-11-03 EP disclosed
EP-1023260-B1 PROCESS FOR PREPARING BETA-KETOESTER FRAGRANCE PRO-ACCORDS FROM 1,3-DIOXAN-4,6-DIONES PROCTER & GAMBLE (US) 2004-01-28 EP disclosed
EP-0927238-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES PROCTER & GAMBLE (US) 2003-05-21 EP disclosed
US-6500797-B1 Process for preparing β-ketoester fragrance pro-accords from 1,3-dioxan-4,6-diones THE PROCTER & GAMBLE COMPANY 2002-12-31 US disclosed
EP-0922084-B1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES PROCTER & GAMBLE (US) 2002-11-13 EP disclosed
US-6184188-B1 LAUNDRY DETERGENT COMPRISING SPECIFIED BETA-KETO ESTER ?PRO-FRAGRANCES? SUCH AS 3,7-DIMETHYL-1,6-OCTADIEN-3-YL 1-(2-NAPHTHYL)-3-OXO-PROPIONATE, AND A DETERSIVE SURFACTANT, AND CARRIERS THE PROCTER & GAMBLE COMPANY 2001-02-06 US disclosed
US-6165953-A Dryer added fabric softening compositions and method of use for the delivery of fragrance derivatives THE PROCTER & GAMBLE COMPANY (US) 2000-12-26 US disclosed
US-6147037-A Fragrance delivery systems THE PROCTER & GAMBLE COMPANY (US) 2000-11-14 US disclosed
US-6126953-A BETA-KETOESTER PRO-ACCORDS, WHICH ARE CAPABLE OF RELEASING MIXTURES OF FRAGRANCE RAW MATERIALS. THE PROCTER & GAMBLE COMPANY (US) 2000-10-03 US disclosed
US-6100233-A Odor control compositions comprising β-ketoester pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2000-08-08 US disclosed
US-6093691-A BETA-KETOESTER PROFRAGRANCES SUCH AS 3,7-DIMETHYL-1,6-OCTADIEN-3-YL 2-(BETA-NAPHTHY)-3-OXO-PROPIONATE, AND FABRIC SOFTENING INGREDIENTS SUCH AS CATIONIC FABRIC SOFTENERS, STABILIZERS THE PROCTER & GAMBLE COMPANY (US) 2000-07-25 US disclosed
US-6083892-A Automatic dishwashing detergents comprising β-ketoester pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US disclosed
EP-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed
US-4883611-A ANTHRAQUINONE COMPOUND CONTAINING DECAHYDRONAPHTHYL GROUP MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-11-28 US disclosed
US-4816452-A ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1989-03-28 US disclosed
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed
EP-0210815-A2 6-Beta-(alpha-etherified oxyimino)-acylamino penicillanic-acid derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1987-02-04 EP disclosed