⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902276 | 0.86 | CNR2 (0.30) | — | |
| SCHEMBL6905451 | 0.84 | — | — | |
| SCHEMBL19056294 | 0.83 | — | — | |
| SCHEMBL6903068 | 0.82 | — | — | |
| SCHEMBL17698563 | 0.81 | — | — | |
| SCHEMBL6904942 | 0.80 | ESR1 (0.32) | — | |
| SCHEMBL13276512 | 0.79 | CYP19A1 (0.34) | — | |
| SCHEMBL6903120 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL6903431 | 0.77 | CYP19A1 (0.31) | — | |
| SCHEMBL6904404 | 0.77 | NPC1 (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 |
|---|---|---|---|---|---|---|---|
| EP-1473323-A1 | Polyethylene composition and process for producing same | Tosoh Corporation (JP) | 2004-11-03 | — | — | EP | disclosed |