⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9671675 | 0.79 | LMNA (0.34) | — | |
| SCHEMBL9670653 | 0.79 | LMNA (0.34) | — | |
| SCHEMBL10811138 | 0.78 | — | — | |
| SCHEMBL8622945 | 0.78 | MMP1 (0.31) | — | |
| SCHEMBL8057980 | 0.78 | CPB2 (0.34) | — | |
| SCHEMBL10930583 | 0.78 | MMP1 (0.31) | — | |
| SCHEMBL3642760 | 0.78 | — | — | |
| SCHEMBL8156594 | 0.78 | CPB2 (0.34) | — | |
| SCHEMBL3171387 | 0.78 | — | — | |
| SCHEMBL8772185 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6073183-A | — | — | None | — | — | JP | disclosed |
| JP-H0673183-A | NONLINEAR OPTICAL MATERIAL | TOSHIBA CORP | 1994-03-15 | — | — | JP | disclosed |