⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL8854267 | 0.80 | CA5A (0.35) | — | |
| SCHEMBL7559376 | 0.79 | — | — | |
| SCHEMBL1192009 | 0.79 | — | — | |
| SCHEMBL7998236 | 0.79 | — | — | |
| Ethylene SCHEMBL8854284 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL9179793 | 0.76 | — | — | |
| SCHEMBL1263887 | 0.76 | — | — | |
| SCHEMBL27823465 | 0.76 | — | — | |
| Tert-Butylamine SCHEMBL3177547 | 0.74 | CA5A (0.50) | — | |
| Tert-Butylamine SCHEMBL3177538 | 0.74 | CA5A (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1073661-A1 | DIOXAZINE DERIVATIVES AND THEIR USE AS DYESTUFFS | Clariant Finance (BVI) Limited (VG) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054334-A1 | DIOXAZINE DERIVATIVES AND THEIR USE AS DYESTUFFS | CLARIANT FINANCE (BVI) LIMITED (VG) | 1999-10-28 | — | — | WO | disclosed |