⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15114147 | 0.77 | — | — | |
| SCHEMBL15114159 | 0.69 | — | — | |
| SCHEMBL2113516 | 0.69 | — | — | |
| SCHEMBL269931 | 0.69 | — | — | |
| SCHEMBL4194414 | 0.69 | — | — | |
| SCHEMBL16290223 | 0.69 | — | — | |
| SCHEMBL15114158 | 0.67 | — | — | |
| SCHEMBL13472106 | 0.67 | — | — | |
| SCHEMBL4727332 | 0.66 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL13900460 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3208615-B1 | USES OF LABELED HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-10-09 | — | — | EP | claimed |
| EP-3091019-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-04-03 | — | — | EP | claimed |
| EP-2486039-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER (US) | 2016-06-01 | — | — | EP | claimed |