⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3950478 | 0.80 | — | — | |
| SCHEMBL962808 | 0.78 | — | — | |
| SCHEMBL6510887 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL962616 | 0.74 | — | — | |
| SCHEMBL10348462 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL377148 | 0.71 | — | — | |
| SCHEMBL28205693 | 0.70 | — | — | |
| SCHEMBL863250 | 0.69 | — | — | |
| SCHEMBL10709457 | 0.69 | — | — | |
| SCHEMBL11031791 | 0.69 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0954558-B1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 2006-06-14 | — | — | EP | disclosed |
| US-20050124747-A1 | Coating composition for ink-jet recording medium and ink-jet recording medium | DEUTSCHE BANK AG, NEW YORK BRANCH, AS COLLATERAL AGENT | 2005-06-09 | — | — | US | 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 |
| EP-1470928-A1 | COATING COMPOSITION FOR INK-JET RECORDING MEDIUM AND INK-JET RECORDING MEDIUM | Clariant International Ltd. (CH) | 2004-10-27 | — | — | EP | disclosed |
| US-6652608-B1 | Fuel compositions exhibiting improved fuel stability | OCTANE INTERNATIONAL, LTD. | 2003-11-25 | — | — | US | disclosed |
| EP-1114734-A1 | RESIN COMPOSITION FOR INK-JET RECORDING SHEET AND RECORDING SHEET MADE WITH THE SAME | DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) | 2001-07-11 | — | — | EP | disclosed |
| EP-1051461-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR, William C. (US) | 2000-11-15 | — | — | EP | disclosed |
| EP-0989162-A1 | THERMOPLASTIC RESIN COMPOSITION, WATER-BASED COMPOSITION, HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE, AND HEAT-SENSITIVE SHEET | Daicel Chemical Industries, Ltd. (JP) | 2000-03-29 | — | — | EP | disclosed |
| EP-0989168-A1 | Water-based coating composition | Daicel Chemical Industries, Ltd. (JP) | 2000-03-29 | — | — | 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 |