⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23894027 | 0.72 | — | — | |
| SCHEMBL19560402 | 0.67 | — | — | |
| SCHEMBL22825043 | 0.67 | — | — | |
| SCHEMBL12442210 | 0.65 | — | — | |
| SCHEMBL14378545 | 0.64 | — | — | |
| SCHEMBL18871417 | 0.61 | — | — | |
| SCHEMBL13287149 | 0.61 | — | — | |
| SCHEMBL6927877 | 0.61 | — | — | |
| SCHEMBL17409796 | 0.56 | — | — | |
| SCHEMBL201927 | 0.49 | — | — |
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-2020258893-A1 | A FORMULATION OF A CONJUGATE OF A TUBULYSIN ANALOG TO A CELL-BINDING MOLECULE | HANGZHOU DAC BIOTECH CO., LTD (CN) | 2020-12-30 | — | — | WO | disclosed |