⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3182678 | 0.83 | — | — | |
| SCHEMBL162994 | 0.83 | — | — | |
| SCHEMBL6239724 | 0.83 | — | — | |
| SCHEMBL28460957 | 0.81 | — | — | |
| SCHEMBL28456217 | 0.81 | — | — | |
| SCHEMBL14845727 | 0.81 | — | — | |
| SCHEMBL3566142 | 0.80 | — | — | |
| SCHEMBL11249268 | 0.80 | — | — | |
| SCHEMBL11566469 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL1130066 | 0.74 | — | — |
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-5859302-A | Processes employing reusable aluminum catalysts | ALBEMARLE CORPORATION (US) | 1999-01-12 | — | — | US | disclosed |