⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2917720 | 1.00 | — | — | |
| SCHEMBL1759158 | 1.00 | — | — | |
| SCHEMBL10891596 | 0.83 | GRIK1 (0.33) | — | |
| SCHEMBL10891599 | 0.83 | GRIK1 (0.33) | — | |
| SCHEMBL11289249 | 0.82 | OXER1 (0.32) | — | |
| SCHEMBL30889126 | 0.82 | OXER1 (0.37) | — | |
| SCHEMBL3806648 | 0.81 | TAS1R3 (0.37) | — | |
| SCHEMBL10709768 | 0.81 | TAS1R3 (0.37) | — | |
| SCHEMBL3806652 | 0.81 | TAS1R3 (0.37) | — | |
| SCHEMBL6722495 | 0.80 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0734370-B1 | METHOD FOR PREPARING ALCOHOLS | FIRMENICH & CIE (CH) | 1999-10-20 | — | — | EP | claimed |
| US-20220089559-A1 | PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS | BASF SE (DE) | 2022-03-24 | — | — | US | disclosed |
| US-11192873-B2 | Process for the preparation of unsaturated carboxylic acids by carbonylation of allyl alcohols and their acylation products | BASF SE (DE) | 2021-12-07 | — | — | US | disclosed |
| US-20200055834-A1 | PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS | BASF SE (DE) | 2020-02-20 | — | — | US | disclosed |
| WO-2011055251-A1 | ESTERS AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 2011-05-12 | — | — | WO | disclosed |
| US-4794193-A | ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1988-12-27 | — | — | US | disclosed |
| US-4709707-A | Use of 4,4A,5,6-tetrahydro-7-methyl-2-(3H) naphthalenone in augmenting or enhancing the aroma or taste of smoking tobacco and smoking tobacco articles | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1987-12-01 | — | — | US | disclosed |
| US-4680142-A | Process for preparing 4,4A,5,6-tetrahydro-7-methyl-2-(3H)-naphthalenone, intermediates used in said process and novel crystalline form of same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1987-07-14 | — | — | US | disclosed |
| US-4533746-A | ENHANCING FLAVORS AND ODORS OF FOODS AND PHARMACEVTICALS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-08-06 | — | — | US | disclosed |
| US-4515987-A | ETHERIFICATION WITH METHYL CHLOROFORMATE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-05-07 | — | — | US | disclosed |
| US-4430354-A | FOOD TREATMENT, ODORS, TASTE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-02-07 | — | — | US | disclosed |
| US-4418087-A | Mixture of 4,4A,5,6-tetrahydro-7-methyl-2-(3H)-naphthalenone and benzodioxanones and use thereof in augmenting or enhancing the aroma or taste of consumable materials | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-11-29 | — | — | US | disclosed |
| US-4385073-A | Flavoring foodstuffs and chewing gums with 4,4A,5,6-tetrahydro-7-methyl-2-(3H)-naphthalenone | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-05-24 | — | — | US | disclosed |
| US-4294266-A | SMOKING TOBACCO | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-10-13 | — | — | US | disclosed |
| US-4264456-A | IN FABRIC SOFTENER | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-04-28 | — | — | US | disclosed |
| US-4259214-A | PERFUME ADDITIVE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-03-31 | — | — | US | disclosed |
| US-4255275-A | FOR SOLID OR LIQUID DETERGENTS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-03-10 | — | — | US | disclosed |
| US-4241097-A | Use of benzodionones in augmenting or enhancing the aroma and taste of a foodstuff | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1980-12-23 | — | — | US | disclosed |
| US-4026909-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1977-05-31 | — | — | US | disclosed |
| US-4001300-A | ANTIULCER, DECONGESTANT, LABOR INDUCER, WOUND HEALER | THE UPJOHN COMPANY (US) | 1977-01-04 | — | — | US | disclosed |