⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18029756 | 0.91 | — | — | |
| SCHEMBL11370176 | 0.91 | — | — | |
| SCHEMBL14396750 | 0.78 | — | — | |
| SCHEMBL17993550 | 0.61 | — | — | |
| SCHEMBL12693418 | 0.61 | — | — | |
| SCHEMBL16471747 | 0.61 | — | — | |
| SCHEMBL14533325 | 0.61 | — | — | |
| SCHEMBL14000797 | 0.61 | — | — | |
| SCHEMBL19129513 | 0.56 | FUCA1 (0.38) | — | |
| SCHEMBL13081290 | 0.52 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120165529-A1 | PROCESS FOR PREPARING TETRAHYDROTETRAAZAPENTACENES AND DERIVATIVES | XEROX CORPORATION (US) | 2012-06-28 | — | — | US | disclosed |
| US-20120165529-A1 | PROCESS FOR PREPARING TETRAHYDROTETRAAZAPENTACENES AND DERIVATIVES | XEROX CORPORATION (US) | 2012-06-28 | — | — | US | disclosed |