⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1785609 | 0.77 | — | — | |
| SCHEMBL432605 | 0.67 | — | — | |
| SCHEMBL1066236 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL12927499 | 0.61 | HSD17B10 (0.33) | — | |
| SCHEMBL4492333 | 0.61 | — | — | |
| SCHEMBL10632026 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL27481574 | 0.61 | — | — | |
| SCHEMBL12927463 | 0.61 | HSD17B10 (0.33) | — | |
| SCHEMBL12927500 | 0.61 | HSD17B10 (0.33) | — | |
| SCHEMBL24051167 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-7232915-B2 | Process for the synthesis of 1,3-diols | WARNER-LAMBERT COMPANY (US) | 2007-06-19 | — | — | US | disclosed |
| EP-1054860-B1 | PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS | PFIZER IRELAND PHARMACEUTICALS (IE) | 2007-04-25 | — | — | EP | disclosed |
| EP-0954558-B1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 2006-06-14 | — | — | EP | disclosed |
| US-20050197500-A1 | Process for the synthesis of 1,3-diols | BOSCH ROBERT L (US) | 2005-09-08 | — | — | 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 |
| US-6652608-B1 | Fuel compositions exhibiting improved fuel stability | OCTANE INTERNATIONAL, LTD. | 2003-11-25 | — | — | US | disclosed |
| US-6596879-B2 | Beta hydroxy ketone treated with trialkylborane or dialkylalkoxyborane followed by recovery and reuse of alkylborane | WARNER-LAMBERT COMPANY | 2003-07-22 | — | — | US | disclosed |
| US-20020161021-A1 | Process for the synthesis of 1,3-diols | BOSCH ROBERT LEE (US) | 2002-10-31 | — | — | US | disclosed |
| US-6433213-B1 | REDUCTION USING BORON COMPOUND | WARNER-LAMBERT COMPANY | 2002-08-13 | — | — | US | disclosed |
| EP-1054860-A1 | PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS | Warner-Lambert Export Limited (IE) | 2000-11-29 | — | — | EP | 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-1999032434-A1 | PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS | WARNER-LAMBERT EXPORT LIMITED (IE) | 1999-07-01 | — | — | WO | disclosed |
| WO-1998026028-A1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 1998-06-18 | — | — | WO | disclosed |