⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28786332 | 0.70 | — | — | |
| SCHEMBL11068868 | 0.69 | — | — | |
| SCHEMBL11334519 | 0.68 | — | — | |
| SCHEMBL8481662 | 0.67 | — | — | |
| SCHEMBL1516831 | 0.63 | — | — | |
| SCHEMBL10595165 | 0.55 | — | — | |
| SCHEMBL9967881 | 0.55 | — | — | |
| SCHEMBL2401894 | 0.52 | — | — | |
| SCHEMBL16684351 | 0.46 | — | — | |
| Bicarbonate SCHEMBL30309268 | 0.43 | CA1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8628751-B2 | Pyrazine derivatives for optical imaging and therapy | Medi Beacon Development, LLC (US) | 2014-01-14 | — | — | US | disclosed |
| US-20120027682-A1 | Pyrazine Derivatives for Optical Imaging and Therapy | MEDIBEACON, INC. | 2012-02-02 | — | — | US | disclosed |
| US-20100311729-A1 | Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors | CAPRARO HANS-GEORG | 2010-12-09 | — | — | US | disclosed |
| WO-2010121003-A1 | PYRAZINE DERIVATIVES FOR OPTICAL IMAGING AND THERAPY | MALLINCKRODT INC. (US) | 2010-10-21 | — | — | WO | disclosed |