⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29953434 | 0.88 | CA12 (0.34) | — | |
| SCHEMBL29344409 | 0.80 | TDP1 (0.43) | — | |
| SCHEMBL19663534 | 0.79 | TDP1 (0.54) | — | |
| SCHEMBL13628931 | 0.78 | TDP1 (0.46) | — | |
| SCHEMBL9558006 | 0.78 | CA12 (0.44) | — | |
| SCHEMBL29951124 | 0.77 | CA12 (0.38) | — | |
| SCHEMBL29951308 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL16006805 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL1380467 | 0.75 | CA12 (0.42) | — | |
| SCHEMBL1461495 | 0.75 | ALDH1A1 (0.38) | — |
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 |