⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8306912 | 0.80 | — | — | |
| SCHEMBL8306154 | 0.80 | — | — | |
| SCHEMBL8301734 | 0.79 | — | — | |
| SCHEMBL8308190 | 0.77 | ADRA2A (0.32) | — | |
| SCHEMBL8304203 | 0.76 | ADRA2A (0.34) | — | |
| SCHEMBL8303929 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL8304048 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL8301776 | 0.72 | PDE3B (0.31) | — | |
| SCHEMBL8303753 | 0.68 | PDE3B (0.33) | — | |
| SCHEMBL8301847 | 0.68 | CYP11B1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0548254-B1 | 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS | ALLERGAN INC (US) | 1999-06-02 | — | — | EP | disclosed |
| EP-0548254-A1 | 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS | ALLERGAN, INC. (US) | 1993-06-30 | — | — | EP | disclosed |
| WO-1992004345-A1 | 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS | ALLERGAN, INC. (US) | 1992-03-19 | — | — | WO | disclosed |
| US-5091528-A | Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors | ALLERGAN, INC. (US) | 1992-02-25 | — | — | US | disclosed |