⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17498271 | 0.63 | — | — | |
| SCHEMBL692413 | 0.58 | — | — | |
| SCHEMBL4727526 | 0.56 | — | — | |
| SCHEMBL11133453 | 0.53 | BACE1 (0.41) | — | |
| SCHEMBL15439039 | 0.53 | — | — | |
| SCHEMBL4195110 | 0.53 | — | — | |
| SCHEMBL6784153 | 0.52 | NISCH (0.37) | — | |
| SCHEMBL3201257 | 0.52 | CYP1A2 (0.32) | — | |
| SCHEMBL1006026 | 0.51 | — | — | |
| SCHEMBL160163 | 0.51 | — | — |
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-1463731-A1 | DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE | Abbott GmbH & Co. KG (DE) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003057699-A1 | DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE | ABBOTT GMBH & CO. KG (DE) | 2003-07-17 | — | — | WO | disclosed |