⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10581287 | 0.82 | TAS1R3 (0.30) | — | |
| SCHEMBL19478251 | 0.79 | DRD4 (0.34) | — | |
| SCHEMBL22909303 | 0.74 | — | — | |
| SCHEMBL27811709 | 0.73 | — | — | |
| SCHEMBL10983150 | 0.71 | — | — | |
| SCHEMBL27917150 | 0.71 | — | — | |
| SCHEMBL21410466 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL13294993 | 0.70 | — | — | |
| SCHEMBL5263481 | 0.70 | — | — | |
| SCHEMBL1785552 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0113185-B2 | SELECTIVE BROMINATION PROCESS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-07-24 | — | — | EP | claimed |
| EP-0113185-B1 | SELECTIVE BROMINATION PROCESS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-09 | — | — | EP | claimed |
| EP-0113185-A1 | Selective bromination process | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-07-11 | — | — | EP | claimed |
| EP-0113185-B2 | SELECTIVE BROMINATION PROCESS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-07-24 | — | — | EP | disclosed |
| EP-0113185-B1 | SELECTIVE BROMINATION PROCESS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-09 | — | — | EP | disclosed |
| EP-0113185-A1 | Selective bromination process | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-07-11 | — | — | EP | disclosed |
| EP-0113185-A1 | Selective bromination process | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-07-11 | — | — | EP | disclosed |