⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2671 | 0.97 | — | — | |
| SCHEMBL9786963 | 0.97 | — | — | |
| SCHEMBL3895871 | 0.94 | — | — | |
| SCHEMBL27450974 | 0.94 | — | — | |
| SCHEMBL3888497 | 0.94 | — | — | |
| SCHEMBL27461793 | 0.94 | — | — | |
| SCHEMBL27600682 | 0.94 | — | — | |
| SCHEMBL27267232 | 0.92 | — | — | |
| Naphthalene SCHEMBL28226163 | 0.89 | CYP2A6 (0.42) | — | |
| SCHEMBL20838385 | 0.87 | HDAC8 (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111801335-A | Synthesis method of boronic acid ester compound, sodium salt of boronic acid ester compound and synthesis method thereof | 株式会社神钢环境舒立净 | 2020-10-20 | — | — | CN | disclosed |
| WO-2019142854-A1 | SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR | 株式会社神鋼環境ソリューション | 2019-07-25 | — | — | WO | disclosed |
| CN-107744786-A | Prevent the method for successive reaction channel system blocking and perform the microreactor of this method | 隆萨股份公司 | 2018-03-02 | — | — | CN | disclosed |
| CN-102427876-A | Method for preventing clogging of a continuous reaction channel system and microreactor for carrying out the method | LONZA AG | 2012-04-25 | — | — | 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 |
| EP-0954558-B1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 2006-06-14 | — | — | EP | 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 |