⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28420162 | 0.74 | — | — | |
| SCHEMBL2454457 | 0.74 | F2 (0.45) | — | |
| SCHEMBL222677 | 0.74 | — | — | |
| SCHEMBL28424145 | 0.69 | VCAM1 (0.38) | — | |
| SCHEMBL10873815 | 0.61 | — | — | |
| SCHEMBL937 | 0.61 | — | — | |
| SCHEMBL2890975 | 0.60 | NOS1 (0.35) | — | |
| SCHEMBL1066876 | 0.59 | — | — | |
| SCHEMBL28135638 | 0.58 | — | — | |
| SCHEMBL28879327 | 0.57 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111235597-B | Synthesis method of nitroazole energetic compound | 南京理工大学 | 2020-10-30 | — | — | CN | disclosed |
| CN-111235597-A | Synthesis method of nitroazole energetic compound | 南京理工大学 | 2020-06-05 | — | — | CN | disclosed |
| EP-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| US-20130059841-A1 | THERAPEUTIC COMPOSITIONS AND METHODS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2013-03-07 | — | — | US | disclosed |
| US-8318741-B2 | Therapeutic compositions and methods | THE TEXAS A & M UNIVERSITY SYSTEM (US) | 2012-11-27 | — | — | US | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| US-20120196868-A1 | THERAPEUTIC COMPOSITIONS AND METHODS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2012-08-02 | — | — | US | disclosed |
| US-20120115959-A1 | Therapeutic Compositions And Methods | THE TEXAS A&M UNIVERSITY SYSTEM | 2012-05-10 | — | — | US | disclosed |
| US-20120071485-A1 | Therapeutic Compositions And Methods | THE TEXAS A&M UNIVERSITY SYSTEM | 2012-03-22 | — | — | US | disclosed |
| US-8088773-B2 | Therapeutic compositions and methods | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2012-01-03 | — | — | US | disclosed |