⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7542562 | 1.00 | — | — | |
| SCHEMBL594273 | 1.00 | — | — | |
| SCHEMBL1781202 | 0.88 | TDP1 (0.44) | — | |
| SCHEMBL12302896 | 0.88 | TDP1 (0.44) | — | |
| SCHEMBL1369967 | 0.85 | ALDH1A1 (0.46) | — | |
| SCHEMBL1782208 | 0.83 | ACE2 (0.53) | — | |
| SCHEMBL13177054 | 0.83 | ACE2 (0.53) | — | |
| SCHEMBL1784549 | 0.82 | ALDH1A1 (0.48) | — | |
| SCHEMBL28751148 | 0.82 | — | — | |
| SCHEMBL12446359 | 0.81 | ACE2 (0.57) | — |
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-20080280973-A1 | Laulimalide Analogues as Therapeutic Agents | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2008-11-13 | — | — | US | disclosed |