⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21782018 | 0.86 | AKT1 (0.37) | — | |
| SCHEMBL21782047 | 0.86 | — | — | |
| SCHEMBL21781807 | 0.86 | CYP3A4 (0.31) | — | |
| SCHEMBL21781748 | 0.84 | KMT2A (0.31) | — | |
| SCHEMBL21781814 | 0.83 | AKT1 (0.31) | — | |
| SCHEMBL21781797 | 0.80 | AKT1 (0.39) | — | |
| SCHEMBL24136555 | 0.79 | CYP3A4 (0.44) | — | |
| SCHEMBL21781886 | 0.79 | CYP3A4 (0.44) | — | |
| SCHEMBL21781742 | 0.77 | MMP7 (0.32) | — | |
| SCHEMBL21782071 | 0.73 | ITGB1 (0.34) | — |
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 |