⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19835753 | 0.74 | HTR2A (0.48) | — | |
| SCHEMBL4090930 | 0.71 | — | — | |
| SCHEMBL4092520 | 0.69 | HTR2A (0.54) | — | |
| SCHEMBL23021747 | 0.65 | CYP2A13 (0.30) | — | |
| SCHEMBL8118652 | 0.64 | DRD1 (0.41) | — | |
| SCHEMBL19835774 | 0.64 | ADRA2A (0.47) | — | |
| SCHEMBL22280707 | 0.62 | PARP1 (0.37) | — | |
| SCHEMBL23021750 | 0.62 | CHRM2 (0.30) | — | |
| SCHEMBL6988847 | 0.61 | DRD2 (0.44) | — | |
| SCHEMBL19023151 | 0.61 | DRD2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2036895-B9 | HSP90 INHIBITOR | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2013-07-10 | — | — | EP | disclosed |
| EP-2036895-B1 | HSP90 INHIBITOR | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2013-01-16 | — | — | EP | disclosed |
| US-8193351-B2 | HSP90 inhibitor | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2012-06-05 | — | — | US | disclosed |
| US-20090247524-A1 | HSP90 Inhibitor | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-10-01 | — | — | US | disclosed |
| CN-101495460-A | HSP90 inhibitor | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2009-07-29 | — | — | CN | disclosed |
| EP-2036895-A1 | HSP90 INHIBITOR | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-03-18 | — | — | EP | disclosed |