⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12239821 | 0.87 | FAAH (0.30) | — | |
| SCHEMBL12216289 | 0.83 | — | — | |
| SCHEMBL27511507 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL12216383 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL1154071 | 0.67 | KDM4E (0.62) | — | |
| SCHEMBL115233 | 0.67 | KDM4E (0.62) | — | |
| SCHEMBL17629195 | 0.67 | KDM4E (0.62) | — | |
| SCHEMBL11549444 | 0.64 | KDM4E (0.44) | — | |
| SCHEMBL10181090 | 0.64 | KDM4E (0.58) | — | |
| SCHEMBL11578341 | 0.64 | KDM4E (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8039465-B2 | Cytoskeletal active compounds, composition and use | INSPIRE PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| US-20100130572-A1 | CYTOSKELETAL ACTIVE COMPOUNDS, COMPOSITION AND USE | LAMPE JOHN W | 2010-05-27 | — | — | US | disclosed |
| US-7320974-B2 | Cytoskeletal active compounds, compositions and use | INSPIRE PHARMACEUTICALS, INC. (US) | 2008-01-22 | — | — | US | disclosed |