⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL892165 | 1.00 | — | — | |
| SCHEMBL892164 | 1.00 | — | — | |
| SCHEMBL23729725 | 0.75 | — | — | |
| SCHEMBL28753612 | 0.71 | TDP1 (0.33) | — | |
| SCHEMBL13474014 | 0.71 | DGAT1 (0.36) | — | |
| SCHEMBL21646735 | 0.71 | — | — | |
| SCHEMBL21100205 | 0.71 | — | — | |
| SCHEMBL15034507 | 0.69 | MAPK1 (0.32) | — | |
| SCHEMBL6177559 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL441362 | 0.67 | — | — |
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-2100605-B1 | Bis(thio-hydrazide amide) compounds in combination with taxol for treating cancer | SYNTA PHARMACEUTICALS CORP (US) | 2011-09-07 | — | — | EP | disclosed |