⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL892063 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL7583573 | 0.77 | — | — | |
| SCHEMBL3481997 | 0.75 | — | — | |
| SCHEMBL6724838 | 0.71 | — | — | |
| SCHEMBL6062540 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL9331276 | 0.70 | — | — | |
| SCHEMBL12447412 | 0.70 | — | — | |
| SCHEMBL6064137 | 0.70 | — | — | |
| SCHEMBL6858273 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL14956561 | 0.70 | — | — |
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 |