⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18019256 | 1.00 | — | — | |
| SCHEMBL28403238 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL11816978 | 0.83 | MAOB (0.39) | — | |
| SCHEMBL11051266 | 0.83 | MAOB (0.39) | — | |
| Maleic Hydrazide SCHEMBL10745257 | 0.79 | ALDH1A1 (0.42) | — | |
| Maleic Hydrazide SCHEMBL55070 | 0.76 | CYP1A2 (0.44) | — | |
| Maleic Hydrazide SCHEMBL28265377 | 0.76 | CYP1A2 (0.44) | — | |
| Maleic Hydrazide SCHEMBL466482 | 0.76 | CYP1A2 (0.44) | — | |
| Maleic Hydrazide SCHEMBL1534936 | 0.76 | CYP1A2 (0.44) | — | |
| SCHEMBL28355055 | 0.76 | — | — |
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-1682143-A2 | COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | Pharmacia Corporation (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005044194-A2 | TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR | PHARMACIA CORPORATION (US) | 2005-05-19 | — | — | WO | disclosed |
| WO-2005041879-A2 | COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-05-12 | — | — | WO | disclosed |