⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21295181 | 0.97 | CYP2C19 (0.32) | — | |
| Zinc Ion SCHEMBL28968491 | 0.94 | — | — | |
| SCHEMBL28968490 | 0.94 | — | — | |
| SCHEMBL28968450 | 0.94 | — | — | |
| SCHEMBL3907387 | 0.94 | — | — | |
| SCHEMBL28968474 | 0.94 | — | — | |
| SCHEMBL28968497 | 0.94 | CA4 (0.33) | — | |
| Potassium Ion SCHEMBL28968471 | 0.94 | CA4 (0.33) | — | |
| Silver SCHEMBL21295010 | 0.94 | — | — | |
| SCHEMBL28968478 | 0.94 | — | — |
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-2019161526-A1 | ONE-POT METHOD FOR PREPARING TWIN DICARBOXYLIC ACID DIAMINE COMPLEX PLATINUM (II) DERIVATIVES | 昆明贵研药业有限公司 | 2019-08-29 | — | — | WO | disclosed |