⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7886951 | 0.87 | — | — | |
| SCHEMBL7886092 | 0.82 | PDCD1 (0.30) | — | |
| SCHEMBL271815 | 0.81 | LMNA (0.30) | — | |
| SCHEMBL7878194 | 0.78 | — | — | |
| SCHEMBL389317 | 0.78 | — | — | |
| SCHEMBL5346908 | 0.77 | FAAH (0.31) | — | |
| SCHEMBL7640638 | 0.77 | FAAH (0.31) | — | |
| SCHEMBL7928156 | 0.75 | LMNA (0.32) | — | |
| SCHEMBL3734810 | 0.74 | — | — | |
| SCHEMBL7928169 | 0.74 | LMNA (0.37) | — |
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-6177376-B1 | REACTING METALLOCENE WITH ORGANOLITHIUM COMPOUND AND GRIGNARD COMPOUND, ACTIVATION, CONTACTING WITH SUPPORT | TARGOR GMBH (DE) | 2001-01-23 | — | — | US | disclosed |