⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10848545 | 0.85 | MAPT (0.45) | — | |
| SCHEMBL10846429 | 0.85 | PGK1 (0.41) | — | |
| SCHEMBL10848829 | 0.84 | — | — | |
| SCHEMBL10848063 | 0.83 | — | — | |
| SCHEMBL10844854 | 0.83 | BRD4 (0.46) | — | |
| SCHEMBL10845552 | 0.83 | CUL4A (0.50) | — | |
| SCHEMBL10846576 | 0.82 | HTR2C (0.61) | — | |
| Water SCHEMBL10847675 | 0.81 | ALDH1A1 (0.54) | — | |
| SCHEMBL10848881 | 0.81 | PDE2A (0.51) | — | |
| SCHEMBL10849092 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4623725-A | [1,2,4]Triazolo[4,3-a]quinoxaline-4-amine derivatives | PFIZER INC. (US) | 1986-11-18 | — | — | US | disclosed |
| EP-0107455-B1 | TRIAZOLOQUINOXALINES AS ANTIDEPRESSANTS AND ANTIFATIGUE AGENTS | PFIZER INC. (US) | 1986-07-09 | — | — | EP | disclosed |
| US-4547501-A | Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents | PFIZER INC. (US) | 1985-10-15 | — | — | US | disclosed |
| US-4495187-A | Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents | PFIZER INC. (US) | 1985-01-22 | — | — | US | disclosed |
| EP-0107455-A1 | Triazoloquinoxalines as antidepressants and antifatigue agents | PFIZER INC. (US) | 1984-05-02 | — | — | EP | disclosed |