⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1727232 | 0.98 | — | — | |
| SCHEMBL4020398 | 0.82 | LMNA (0.31) | — | |
| SCHEMBL815128 | 0.81 | — | — | |
| SCHEMBL7258084 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL22111419 | 0.76 | — | — | |
| SCHEMBL19119217 | 0.76 | — | — | |
| SCHEMBL6889626 | 0.76 | — | — | |
| SCHEMBL28521246 | 0.75 | — | — | |
| SCHEMBL6283596 | 0.74 | — | — | |
| SCHEMBL9563425 | 0.74 | — | — |
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-2001044209-A1 | TRIAZINE COMPOUNDS AND USE AS WATER REPELLENT | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2001-06-21 | — | — | WO | disclosed |