⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7653264 | 0.76 | MAPT (0.34) | — | |
| SCHEMBL7633674 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL7636283 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL7635786 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL7636295 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL7942188 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL7636309 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL5176499 | 0.65 | — | — | |
| SCHEMBL31272835 | 0.65 | — | — | |
| SCHEMBL13370435 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0364843-B1 | Isomers of trimethylbicyclo[4.3.0] nonane derivatives | HENKEL KGAA (DE) | 1994-04-27 | — | — | EP | disclosed |
| EP-0364843-A2 | Isomers of trimethylbicyclo[4.3.0] nonane derivatives | Henkel Kommanditgesellschaft auf Aktien (DE) | 1990-04-25 | — | — | EP | disclosed |