⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18023757 | 1.00 | — | — | |
| SCHEMBL3437031 | 0.77 | — | — | |
| SCHEMBL2143671 | 0.76 | — | — | |
| SCHEMBL21850190 | 0.76 | — | — | |
| SCHEMBL8255211 | 0.76 | — | — | |
| SCHEMBL16882865 | 0.76 | — | — | |
| SCHEMBL12133506 | 0.76 | TDP1 (0.38) | — | |
| SCHEMBL27046473 | 0.75 | CHRNB2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL21330762 | 0.75 | TDP1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11467758 | 0.74 | — | — |
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-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |