⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9834230 | 0.78 | — | — | |
| SCHEMBL2998512 | 0.78 | — | — | |
| SCHEMBL19972878 | 0.75 | — | — | |
| SCHEMBL9805807 | 0.75 | — | — | |
| SCHEMBL1421383 | 0.75 | — | — | |
| SCHEMBL19972861 | 0.75 | — | — | |
| SCHEMBL1601783 | 0.73 | — | — | |
| SCHEMBL10477245 | 0.72 | — | — | |
| SCHEMBL1512305 | 0.72 | — | — | |
| SCHEMBL17477668 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4232016-A | 3-Fluorobenzodiazepines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-11-04 | — | — | US | disclosed |