⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2067385 | 0.82 | TDP1 (0.37) | — | |
| SCHEMBL3124007 | 0.76 | — | — | |
| SCHEMBL4630246 | 0.76 | — | — | |
| SCHEMBL934165 | 0.76 | — | — | |
| SCHEMBL4722713 | 0.76 | CRHR1 (0.36) | — | |
| SCHEMBL17748628 | 0.75 | — | — | |
| SCHEMBL4720060 | 0.71 | CACNA2D1 (0.36) | — | |
| SCHEMBL188345 | 0.71 | — | — | |
| SCHEMBL8582933 | 0.71 | — | — | |
| SCHEMBL2067572 | 0.70 | ESR1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007135350-A1 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-11-29 | — | — | WO | disclosed |