⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26441527 | 0.75 | — | — | |
| SCHEMBL10314776 | 0.75 | — | — | |
| SCHEMBL10314778 | 0.75 | — | — | |
| SCHEMBL10094588 | 0.72 | — | — | |
| SCHEMBL8390765 | 0.69 | — | — | |
| SCHEMBL15755393 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL15755391 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL66319 | 0.67 | — | — | |
| SCHEMBL29779219 | 0.65 | — | — | |
| SCHEMBL16821014 | 0.65 | LMNA (0.36) | — |
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 | claimed |