⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5293082 | 0.72 | — | — | |
| SCHEMBL5295464 | 0.61 | — | — | |
| SCHEMBL78997 | 0.61 | — | — | |
| SCHEMBL9305386 | 0.61 | — | — | |
| SCHEMBL5290545 | 0.61 | — | — | |
| SCHEMBL135576 | 0.57 | — | — | |
| SCHEMBL1538431 | 0.56 | — | — | |
| SCHEMBL1538893 | 0.56 | — | — | |
| SCHEMBL6716393 | 0.56 | — | — | |
| SCHEMBL466907 | 0.46 | — | — |
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-2007005364-A2 | HALOALUMINOXANE COMPOSITIONS | ALBEMARLE CORPORATION (US) | 2007-01-11 | — | — | WO | disclosed |