⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28824417 | 0.83 | — | — | |
| SCHEMBL149858 | 0.83 | — | — | |
| SCHEMBL28096862 | 0.79 | — | — | |
| SCHEMBL4521329 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL10323216 | 0.79 | — | — | |
| SCHEMBL2189742 | 0.79 | — | — | |
| SCHEMBL27999123 | 0.79 | — | — | |
| SCHEMBL2060368 | 0.79 | — | — | |
| Ethylene SCHEMBL14880425 | 0.79 | — | — | |
| SCHEMBL4529080 | 0.75 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104955830-A | Methods for the total chemical synthesis of enantiomerically-pure 7-(2'-trimethylsilyl) ethyl camptothecin | BIONUMERIK PHARMACEUTICALS INC | 2015-09-30 | — | — | CN | disclosed |