⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49897 | 0.69 | — | — | |
| SCHEMBL296554 | 0.67 | TYMP (0.42) | — | |
| SCHEMBL516345 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL848365 | 0.65 | KDM1A (0.33) | — | |
| SCHEMBL5697315 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL6405722 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL3233362 | 0.65 | TYMP (0.41) | — | |
| SCHEMBL18244171 | 0.65 | TYMP (0.41) | — | |
| SCHEMBL11201526 | 0.65 | TYMP (0.41) | — | |
| SCHEMBL21057468 | 0.65 | TYMP (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1097118-B1 | ALKYLATION PROCESS | ALBEMARLE CORP (US) | 2003-07-30 | — | — | EP | disclosed |
| EP-1097118-A1 | ALKYLATION PROCESS | ALBEMARLE CORPORATION (US) | 2001-05-09 | — | — | EP | disclosed |
| US-6100437-A | ALKYLATION IS CARRIED OUT AT A LOWER TEMPERATURE AND A MIXED SODIUM-POTASSIUM CATALYST IS USED AT A HIGHER CONCENTRATION THAN HERETOFORE; INSOLUBLE TAR IS VISUALLY UNDETECTABLE, AND THE PRESENCE OF COLORED SOLUBLE BYPRODUCTS IS REDUCED | ALBEMARLE CORPORATION (US) | 2000-08-08 | — | — | US | disclosed |
| WO-2000002835-A1 | ALKYLATION PROCESS | ALBEMARLE CORPORATION (US) | 2000-01-20 | — | — | WO | disclosed |
| US-5605975-A | REACTING EPICHLOROHYDRIN POLYMER OR EPICHLOROHYDRIN-ALKYLENE OXIDE COPOLYMER WITH ALKALI METAL AZIDE; PROPELLANTS, EXPLOSIVES | HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1997-02-25 | — | — | US | disclosed |
| EP-0647247-A1 | BRANCHED ENERGETIC POLYETHER ELASTOMERS | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1995-04-12 | — | — | EP | disclosed |
| EP-0646614-A1 | Improved branched energetic azido polymers | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1995-04-05 | — | — | EP | disclosed |
| EP-0578698-A1 | PROCESS FOR PREPARING BRANCHED ENERGETIC POLYETHER ELASTOMERS | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1994-01-19 | — | — | EP | disclosed |
| WO-1994000507-A1 | BRANCHED ENERGETIC POLYETHER ELASTOMERS | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1994-01-06 | — | — | WO | disclosed |
| US-5191034-A | Azide Groups | HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1993-03-02 | — | — | US | disclosed |
| WO-1992017524-A1 | BRANCHED ENERGETIC POLYETHER ELASTOMERS | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1992-10-15 | — | — | WO | disclosed |
| US-5130381-A | Polyepichlorohydrin or epichlorohydrin-alkylene oxide polymers with metal azide as rocket propellants or composite explosives | HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE OF HER MAJESTY'S CANADIAN GOVERNMENT (CA) | 1992-07-14 | — | — | US | disclosed |