⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL305079 | 0.96 | — | — | |
| SCHEMBL4479247 | 0.93 | — | — | |
| SCHEMBL8504464 | 0.93 | — | — | |
| SCHEMBL5055634 | 0.93 | — | — | |
| SCHEMBL5860426 | 0.93 | — | — | |
| SCHEMBL28456811 | 0.93 | — | — | |
| SCHEMBL9585374 | 0.93 | — | — | |
| Acetic Acid SCHEMBL28378611 | 0.90 | ALDH1A1 (0.47) | — | |
| Alcohol SCHEMBL7007847 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL4817329 | 0.84 | ALDH1A1 (0.42) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7635761-B2 | Water-soluble group III polyether acid salt complexes and thin films from same | RAYTHEON COMPANY (US) | 2009-12-22 | — | — | US | disclosed |
| US-20070293661-A1 | Water-soluble group III polyether acid salt complexes and thin films from same | RAYTHEON COMPANY | 2007-12-20 | — | — | US | disclosed |
| US-7273942-B1 | Water-soluble group III polyether acid salt complexes and thin films from same | RAYTHEON COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-20060094894-A1 | Acylated esters | DAY JAMES F | 2006-05-04 | — | — | US | disclosed |
| EP-1301459-A2 | OPTIMIZED CATALYST ADDITION TO ENHANCE ESTERIFICATION CATALYST PERFORMANCE | ExxonMobil Chemical Patents Inc. (US) | 2003-04-16 | — | — | EP | disclosed |
| US-6355817-B1 | REACTING ALCOHOL WITH CARBONYL-LIKE COMPOUND IN PRESENCE OF FIRST AMOUNT OF FIRST ESTERIFICATION CATALYST, ADDING SECOND AMOUNT OF SECOND ESTERIFICATION CATALYST TO REACTION MIXTURE AT SOME TIME AFTER INITIATION OF FIRST STEP | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-03-12 | — | — | US | disclosed |
| US-6355711-B1 | KETONE ESTER AS PLASTICIZER | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-03-12 | — | — | US | disclosed |
| WO-2002006204-A2 | OPTIMIZED CATALYST ADDITION TO ENHANCE ESTERIFICATION CATALYST PERFORMANCE | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2002-01-24 | — | — | WO | disclosed |
| EP-0680463-B2 | PROCESS FOR THE PRODUCTION OF PLASTICIZER AND POLYOL ESTERS | EXXONMOBIL CHEM PATENTS INC (US) | 2001-12-19 | — | — | EP | disclosed |
| EP-1073622-A1 | HIGH PERFORMANCE PLASTICIZERS FROM BRANCHED OXO ALCOHOLS | EXXON CHEMICAL PATENTS INC. (US) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054277-A1 | HIGH PERFORMANCE PLASTICIZERS FROM BRANCHED OXO ALCOHOLS | EXXON CHEMICAL PATENTS INC. (US) | 1999-10-28 | — | — | WO | disclosed |
| EP-0680463-B1 | PROCESS FOR THE PRODUCTION OF PLASTICIZER AND POLYOL ESTERS | EXXON CHEMICAL PATENTS INC (US) | 1998-06-10 | — | — | EP | disclosed |
| US-5532405-A | MONITORING CONCENTRATION OF LOWER BOILING ALCOHOL SO THAT MORE MAY BE ADDED TO MAINTAIN PREDETERMINED CONCENTRATION | EXXON CHEMICAL PATENTS INC. (US) | 1996-07-02 | — | — | US | disclosed |
| WO-1996002489-A1 | PREPARATION OF ESTERS BY THE STAGED ADDITION OF THE LOWER BOILING POINT COMPONENT OF MIXED ALCOHOLS OR ACIDS | EXXON CHEMICAL PATENTS INC. (US) | 1996-02-01 | — | — | WO | disclosed |
| WO-1995029888-A1 | PREPARATION OF PLASTICIZER OR POLYOL ESTERS BY THE STAGED ADDITION OF THE LOWER BOILING POINT REACTANT | EXXON CHEMICAL PATENTS INC. (US) | 1995-11-09 | — | — | WO | disclosed |
| EP-0680463-A1 | PROCESS FOR THE PRODUCTION OF PLASTICIZER AND POLYOL ESTERS | EXXON CHEMICAL PATENTS INC. (US) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017028-A1 | PROCESS FOR THE PRODUCTION OF PLASTICIZER AND POLYOL ESTERS | EXXON CHEMICAL PATENTS INC. (US) | 1994-08-04 | — | — | WO | disclosed |
| US-5324853-A | Continuous mixing and removal of water during esterification | EXXON CHEMICAL PATENTS INC. (US) | 1994-06-28 | — | — | US | disclosed |