⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24864497 | 0.87 | PDE4A (0.31) | — | |
| SCHEMBL24864499 | 0.85 | — | — | |
| SCHEMBL29344145 | 0.78 | — | — | |
| SCHEMBL24864340 | 0.74 | ADRB2 (0.33) | — | |
| SCHEMBL24864554 | 0.74 | — | — | |
| SCHEMBL24864538 | 0.73 | CYP2D6 (0.32) | — | |
| SCHEMBL27291294 | 0.71 | PDE4A (0.35) | — | |
| SCHEMBL22445201 | 0.71 | CA14 (0.40) | — | |
| SCHEMBL30881301 | 0.71 | CA14 (0.40) | — | |
| SCHEMBL24864489 | 0.69 | BLM (0.33) | — |
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-2023280227-A2 | LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME | PROFOUNDBIO US CO. (US) | 2023-01-12 | — | — | WO | disclosed |