⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4086101 | 0.69 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL4090930 | 0.68 | — | — | |
| SCHEMBL13822493 | 0.66 | GRIN2D (0.33) | — | |
| SCHEMBL28136192 | 0.65 | PIR (0.32) | — | |
| SCHEMBL10253943 | 0.64 | HTR2A (0.48) | — | |
| SCHEMBL9125380 | 0.64 | HTR2A (0.48) | — | |
| SCHEMBL11340672 | 0.62 | CHRNA7 (0.43) | — | |
| SCHEMBL29853819 | 0.62 | MEN1 (0.39) | — | |
| SCHEMBL29765430 | 0.62 | CHRNA7 (0.43) | — | |
| SCHEMBL17398633 | 0.62 | PIK3CD (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |