⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4130387 | 0.82 | — | — | |
| SCHEMBL3199325 | 0.74 | MEN1 (0.30) | — | |
| SCHEMBL3113446 | 0.73 | — | — | |
| SCHEMBL687579 | 0.71 | HTR2C (0.41) | — | |
| SCHEMBL438926 | 0.71 | HTR2A (0.41) | — | |
| SCHEMBL1855847 | 0.70 | HTR2C (0.31) | — | |
| SCHEMBL9390206 | 0.68 | KDM1A (0.47) | — | |
| SCHEMBL28535275 | 0.67 | MGLL (0.32) | — | |
| SCHEMBL11650701 | 0.67 | TSHR (0.46) | — | |
| SCHEMBL3464731 | 0.66 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240656-A1 | COMPOUNDS AS HSP90 INHIBITORS | ORYZON GENOMICS, S.A. (ES) | 2010-09-23 | — | — | US | claimed |
| EP-2183221-A1 | NEW COMPOUNDS AS HSP90 INHIBITORS | Crystax Pharmaceuticals S.L. (ES) | 2010-05-12 | — | — | EP | claimed |
| WO-2009007399-A1 | NEW COMPOUNDS AS HSP90 INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2009-01-15 | — | — | WO | claimed |
| US-20100240656-A1 | COMPOUNDS AS HSP90 INHIBITORS | ORYZON GENOMICS, S.A. (ES) | 2010-09-23 | — | — | US | disclosed |
| EP-2183221-A1 | NEW COMPOUNDS AS HSP90 INHIBITORS | Crystax Pharmaceuticals S.L. (ES) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009007399-A1 | NEW COMPOUNDS AS HSP90 INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2009-01-15 | — | — | WO | disclosed |