⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL447594 | 0.81 | — | — | |
| SCHEMBL449399 | 0.80 | — | — | |
| SCHEMBL451159 | 0.78 | — | — | |
| SCHEMBL464696 | 0.74 | HSP90AA1 (0.30) | — | |
| SCHEMBL449405 | 0.71 | HSP90AA1 (0.54) | — | |
| SCHEMBL446777 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL711912 | 0.60 | HSP90AA1 (0.38) | — | |
| SCHEMBL12216285 | 0.59 | HSP90AA1 (0.48) | — | |
| SCHEMBL11693893 | 0.55 | — | — | |
| SCHEMBL11590019 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680100-B2 | Sulfonylhydrazide compounds for treating proliferative disorders | SYNTA PHARMACEUTICALS CORP. (US) | 2014-03-25 | — | — | US | disclosed |
| US-20120065206-A1 | COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS | SYNTA PHARMACEUTICALS CORP. (US) | 2012-03-15 | — | — | US | disclosed |