⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6111734 | 0.84 | — | — | |
| SCHEMBL9014641 | 0.81 | — | — | |
| SCHEMBL458512 | 0.76 | PTGS2 (0.39) | — | |
| SCHEMBL8807107 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL28381171 | 0.74 | PTGS2 (0.38) | — | |
| SCHEMBL9111272 | 0.72 | PTPN1 (0.35) | — | |
| SCHEMBL4731849 | 0.72 | PTPN1 (0.39) | — | |
| SCHEMBL9161090 | 0.72 | DHFR (0.38) | — | |
| SCHEMBL8886698 | 0.71 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL28221169 | 0.71 | CA2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008052288-A1 | DITHIOLE COMPOUNDS AS COX INHIBITORS | NEURO THERAPEUTICS LIMITED (AU) | 2008-05-08 | — | — | WO | disclosed |