⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9707328 | 0.81 | ACHE (0.31) | — | |
| SCHEMBL1899235 | 0.76 | — | — | |
| SCHEMBL10444149 | 0.63 | — | — | |
| SCHEMBL8408706 | 0.63 | — | — | |
| SCHEMBL10964461 | 0.62 | — | — | |
| SCHEMBL9712523 | 0.61 | — | — | |
| SCHEMBL8713400 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL8233035 | 0.60 | — | — | |
| SCHEMBL1527065 | 0.60 | — | — | |
| SCHEMBL2293122 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0385990-B1 | PRODUCTION OF HEXANITROSTILBENE (HNS) | SECR DEFENCE BRIT (GB) | 1994-01-05 | — | — | EP | claimed |