⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25570886 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL12371957 | 0.85 | — | — | |
| SCHEMBL20621820 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL598867 | 0.76 | TRPM8 (0.36) | — | |
| SCHEMBL23134305 | 0.75 | CA12 (0.32) | — | |
| SCHEMBL23901737 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL23901745 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL23902049 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL27354211 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL13753225 | 0.70 | — | — |
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-20210308277-A1 | CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS | HANGZHOU DAC BIOTECH CO., LTD. (CN) | 2021-10-07 | — | — | US | disclosed |