⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4382791 | 0.96 | ELANE (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1603406 | 0.94 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1603301 | 0.91 | — | — | |
| SCHEMBL4385123 | 0.86 | PSMB8 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1603217 | 0.84 | — | — | |
| SCHEMBL4379714 | 0.83 | CA12 (0.30) | — | |
| SCHEMBL4370785 | 0.83 | PSMB8 (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1603358 | 0.82 | CA12 (0.30) | — | |
| Iodide SCHEMBL5450561 | 0.82 | PSMB8 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1602667 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1658503-B1 | CHEMILUMINESCENT COMPOUNDS | MOLECULAR LIGHT TECH RES LTD (GB) | 2009-11-18 | — | — | EP | claimed |