⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24241766 | 0.85 | — | — | |
| SCHEMBL23477143 | 0.83 | — | — | |
| SCHEMBL22068107 | 0.80 | HTT (0.34) | — | |
| SCHEMBL22068147 | 0.80 | HTT (0.34) | — | |
| SCHEMBL22068531 | 0.80 | HTT (0.34) | — | |
| SCHEMBL22068475 | 0.80 | HTT (0.34) | — | |
| SCHEMBL22068062 | 0.80 | HTT (0.34) | — | |
| SCHEMBL21781726 | 0.75 | — | — | |
| SCHEMBL22068528 | 0.72 | — | — | |
| SCHEMBL22068567 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11207420-B2 | Cytotoxin and conjugate, uses of same and preparation method therefor | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2021-12-28 | — | — | US | disclosed |
| US-20200179529-A1 | CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2020-06-11 | — | — | US | disclosed |