⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL421074 | 0.89 | LMNA (0.32) | — | |
| SCHEMBL12203088 | 0.77 | HSP90AA1 (0.32) | — | |
| SCHEMBL421457 | 0.77 | HSP90AA1 (0.32) | — | |
| SCHEMBL420136 | 0.75 | HSP90AA1 (0.39) | — | |
| SCHEMBL929639 | 0.74 | HPGD (0.36) | — | |
| SCHEMBL421149 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL419870 | 0.73 | HSP90AA1 (0.32) | — | |
| SCHEMBL445552 | 0.73 | MEN1 (0.32) | — | |
| SCHEMBL445551 | 0.73 | MEN1 (0.32) | — | |
| SCHEMBL419133 | 0.73 | MAP3K5 (0.30) | — |
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-20120064175-A1 | HSP90 Inhibitors for Treating Non-Small Cell Lung Cancer in Wild-Type EGFR and/or KRAS Patients | SYNTA PHARMACEUTICALS CORP. | 2012-03-15 | — | — | US | disclosed |