⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11682781 | 0.96 | — | — | |
| SCHEMBL27500744 | 0.96 | ALDH1A1 (0.33) | — | |
| SCHEMBL304734 | 0.96 | — | — | |
| SCHEMBL4612940 | 0.96 | — | — | |
| SCHEMBL3894048 | 0.92 | — | — | |
| SCHEMBL2350013 | 0.92 | ALDH1A1 (0.38) | — | |
| SCHEMBL331577 | 0.92 | ALDH1A1 (0.38) | — | |
| SCHEMBL2348460 | 0.92 | ALDH1A1 (0.38) | — | |
| SCHEMBL2345604 | 0.92 | ALDH1A1 (0.38) | — | |
| SCHEMBL332580 | 0.92 | ALDH1A1 (0.38) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117177801-A | Extraction Method | 巴斯夫欧洲公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-115298157-A | Catalytic process for preparing alpha, beta-ethylenically unsaturated carboxylic acid salts | 巴斯夫欧洲公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-101024671-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2010-08-18 | — | — | CN | disclosed |
| CN-1974596-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2010-07-28 | — | — | CN | disclosed |
| US-7572303-B2 | A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability | OCTANE INTERNATIONAL, LTD. (US) | 2009-08-11 | — | — | US | disclosed |
| CN-101024671-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-08-29 | — | — | CN | disclosed |
| CN-1974596-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-06-06 | — | — | CN | disclosed |
| CN-1299677-C | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-02-14 | — | — | CN | disclosed |
| EP-0954558-B1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 2006-06-14 | — | — | EP | disclosed |
| CN-1668297-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2005-09-14 | — | — | CN | disclosed |
| US-20050044778-A1 | Fuel compositions employing catalyst combustion structure | OCTANE INTERNATIONAL, LTD. | 2005-03-03 | — | — | US | disclosed |
| US-20040237384-A1 | Fuel compositions exhibiting improved fuel stability | OCTANE INTERNATIONAL, LTD. | 2004-12-02 | — | — | US | disclosed |
| US-6652608-B1 | Fuel compositions exhibiting improved fuel stability | OCTANE INTERNATIONAL, LTD. | 2003-11-25 | — | — | US | disclosed |
| EP-1051461-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR, William C. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999066009-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR WILLIAM C (US) | 1999-12-23 | — | — | WO | disclosed |
| EP-0954558-A1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR, William C. (US) | 1999-11-10 | — | — | EP | disclosed |
| WO-1998026028-A1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 1998-06-18 | — | — | WO | disclosed |