⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12559836 | 0.81 | — | — | |
| SCHEMBL26482018 | 0.75 | — | — | |
| SCHEMBL12597990 | 0.75 | L3MBTL1 (0.36) | — | |
| SCHEMBL13209410 | 0.74 | L3MBTL1 (0.38) | — | |
| SCHEMBL19121481 | 0.74 | L3MBTL1 (0.38) | — | |
| SCHEMBL29296260 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL29296272 | 0.73 | THRB (0.40) | — | |
| SCHEMBL15396244 | 0.71 | L3MBTL1 (0.31) | — | |
| SCHEMBL14793877 | 0.71 | L3MBTL1 (0.31) | — | |
| SCHEMBL12559835 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110152310-A1 | TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | SYNTA PHARMACEUTICALS CORP. | 2011-06-23 | — | — | US | disclosed |