⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19418462 | 0.82 | HSP90AB1 (0.44) | — | |
| SCHEMBL10150079 | 0.68 | HSP90AB1 (0.67) | — | |
| SCHEMBL17787764 | 0.67 | HSP90AB1 (0.30) | — | |
| SCHEMBL10150085 | 0.67 | HSP90AB1 (0.48) | — | |
| SCHEMBL286755 | 0.67 | KCNJ1 (0.44) | — | |
| SCHEMBL19418368 | 0.66 | MAOA (0.38) | — | |
| SCHEMBL17787762 | 0.66 | CA1 (0.36) | — | |
| SCHEMBL21067824 | 0.62 | HSP90AB1 (0.45) | — | |
| SCHEMBL21067618 | 0.62 | HSP90AB1 (0.45) | — | |
| SCHEMBL21067825 | 0.62 | HSP90AB1 (0.45) | — |
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-2136799-B1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | UNIV STRASBOURG (FR) | 2017-10-04 | — | — | EP | disclosed |