⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22789217 | 1.00 | — | — | |
| SCHEMBL25706031 | 1.00 | — | — | |
| SCHEMBL18270875 | 0.80 | — | — | |
| SCHEMBL18270878 | 0.80 | — | — | |
| SCHEMBL10262211 | 0.80 | — | — | |
| SCHEMBL19128708 | 0.80 | — | — | |
| SCHEMBL22861209 | 0.77 | — | — | |
| SCHEMBL21781848 | 0.77 | HTT (0.35) | — | |
| SCHEMBL22068486 | 0.77 | HTT (0.35) | — | |
| SCHEMBL22068435 | 0.77 | HTT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3617221-A1 | CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2020-03-04 | — | — | EP | disclosed |