⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6424649 | 0.91 | — | — | |
| SCHEMBL28467522 | 0.91 | — | — | |
| SCHEMBL31674392 | 0.91 | — | — | |
| SCHEMBL6576825 | 0.82 | — | — | |
| SCHEMBL14920124 | 0.82 | — | — | |
| SCHEMBL11169613 | 0.82 | — | — | |
| SCHEMBL9840279 | 0.82 | — | — | |
| SCHEMBL6535099 | 0.82 | — | — | |
| SCHEMBL7200364 | 0.82 | — | — | |
| SCHEMBL6425696 | 0.82 | — | — |
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-2003104172-A1 | PROCESS FOR MANUFACTURING ALKANES | BP CHEMICALS LIMITED (GB) | 2003-12-18 | — | — | WO | disclosed |