⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7998750 | 0.76 | — | — | |
| SCHEMBL13864402 | 0.76 | — | — | |
| SCHEMBL7991131 | 0.76 | — | — | |
| SCHEMBL7578650 | 0.76 | — | — | |
| SCHEMBL6722002 | 0.70 | — | — | |
| SCHEMBL3418630 | 0.69 | — | — | |
| SCHEMBL3418633 | 0.69 | — | — | |
| SCHEMBL6721997 | 0.69 | — | — | |
| SCHEMBL6722000 | 0.69 | — | — | |
| SCHEMBL7553185 | 0.67 | TDP1 (0.39) | — |
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-1187819-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| WO-2001000600-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |