⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1722813 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL11848519 | 0.98 | — | — | |
| SCHEMBL8506153 | 0.96 | — | — | |
| SCHEMBL10813534 | 0.81 | — | — | |
| SCHEMBL11033556 | 0.81 | — | — | |
| SCHEMBL10581950 | 0.81 | — | — | |
| SCHEMBL8465591 | 0.79 | CRHBP (0.40) | — | |
| SCHEMBL1101108 | 0.72 | — | — | |
| SCHEMBL44788 | 0.72 | MAOA (0.32) | — | |
| SCHEMBL10544273 | 0.71 | KMT2A (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8884032-B2 | Trioxane monomers and dimers | THE JOHNS HOPKINS UNIVERSITY (US) | 2014-11-11 | — | — | US | disclosed |
| US-20120108545-A1 | Trioxane Monomers and Dimers | THE JOHNS HOPKINS UNIVERSITY (US) | 2012-05-03 | — | — | US | disclosed |
| WO-2010135427-A2 | TRIOXANE MONOMERS AND DIMERS | THE JOHNS HOPKINS UNIVERSITY (US) | 2010-11-25 | — | — | WO | disclosed |