⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26083369 | 0.64 | FDPS (0.33) | — | |
| SCHEMBL26083354 | 0.62 | FDPS (0.36) | — | |
| SCHEMBL29525557 | 0.60 | FDPS (0.42) | — | |
| SCHEMBL26083362 | 0.59 | POLB (0.31) | — | |
| SCHEMBL26083368 | 0.57 | ALOX5 (0.32) | — | |
| SCHEMBL29525958 | 0.56 | KARS1 (0.39) | — | |
| SCHEMBL30726736 | 0.55 | — | — | |
| SCHEMBL13690270 | 0.54 | POLB (0.33) | — | |
| SCHEMBL14340660 | 0.54 | ALOX5 (0.38) | — | |
| SCHEMBL13690271 | 0.54 | P2RX3 (0.31) | — |
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-2023192921-A2 | ABIETANES AND METHODS OF MAKING AND USING THE SAME | THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INCORPORATED (US) | 2023-10-05 | — | — | WO | disclosed |