⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9354927 | 0.98 | — | — | |
| SCHEMBL9354714 | 0.69 | CA9 (0.33) | — | |
| Bromide SCHEMBL7758524 | 0.69 | AKR1B1 (0.30) | — | |
| SCHEMBL9354703 | 0.59 | MAPT (0.53) | — | |
| SCHEMBL992469 | 0.59 | — | — | |
| SCHEMBL22366550 | 0.57 | IMPDH2 (0.42) | — | |
| SCHEMBL8304624 | 0.56 | MMP12 (0.38) | — | |
| SCHEMBL31394896 | 0.55 | TGM2 (0.50) | — | |
| SCHEMBL3594074 | 0.55 | CA9 (0.40) | — | |
| SCHEMBL3596380 | 0.55 | CA9 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0549594-A1 | (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME. | ALLERGAN INC (US) | 1993-07-07 | — | — | EP | disclosed |
| EP-0549594-A4 | (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME. | ALLERGAN INC (US) | 1993-04-16 | — | — | EP | disclosed |
| WO-1992002515-A1 | (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME | ALLERGAN, INC. (US) | 1992-02-20 | — | — | WO | disclosed |