⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17938421 | 0.81 | — | — | |
| SCHEMBL4728832 | 0.72 | — | — | |
| SCHEMBL131101 | 0.66 | — | — | |
| SCHEMBL699757 | 0.64 | MGLL (0.36) | — | |
| SCHEMBL57077 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL30474637 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL7942332 | 0.63 | EPHX1 (0.38) | — | |
| SCHEMBL15172312 | 0.63 | — | — | |
| SCHEMBL8903266 | 0.63 | MGLL (0.34) | — | |
| SCHEMBL21947419 | 0.62 | — | — |
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-10836796-B2 | Derivatives of amanita toxins and their conjugation to a cell binding molecule | HANGZHOU DAC BIOTECH CO., LTD. (CN) | 2020-11-17 | — | — | US | disclosed |