⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14778335 | 0.90 | CA1 (0.32) | — | |
| SCHEMBL10656 | 0.80 | USP2 (0.40) | — | |
| SCHEMBL2058083 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL29095929 | 0.79 | CYP2C19 (0.36) | — | |
| SCHEMBL27379355 | 0.78 | — | — | |
| SCHEMBL2057269 | 0.77 | CA1 (0.31) | — | |
| SCHEMBL2057492 | 0.76 | CA1 (0.33) | — | |
| SCHEMBL22007022 | 0.75 | CA1 (0.36) | — | |
| SCHEMBL4132962 | 0.72 | CA1 (0.54) | — | |
| SCHEMBL28931819 | 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 |
|---|---|---|---|---|---|---|---|
| CN-117015404-A | Anti-EGFR antibody drug conjugates | 艾伯维公司 | 2023-11-07 | — | — | CN | disclosed |