⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15815285 | 0.94 | — | — | |
| SCHEMBL48836 | 0.93 | — | — | |
| SCHEMBL49581 | 0.91 | LMNA (0.33) | — | |
| SCHEMBL628120 | 0.90 | — | — | |
| SCHEMBL1091663 | 0.89 | LMNA (0.32) | — | |
| SCHEMBL31505966 | 0.89 | LMNA (0.32) | — | |
| SCHEMBL9812937 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL393488 | 0.87 | — | — | |
| SCHEMBL23070417 | 0.85 | LMNA (0.31) | — | |
| SCHEMBL21802983 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6274688-B1 | CROSSLINKING | KANEKA CORPORATION (JP) | 2001-08-14 | — | — | US | disclosed |