⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27297997 | 0.75 | MAOA (0.30) | — | |
| SCHEMBL9665498 | 0.71 | ATM (0.36) | — | |
| SCHEMBL5333422 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL7794633 | 0.67 | HTR2A (0.31) | — | |
| SCHEMBL30094463 | 0.62 | — | — | |
| SCHEMBL7784805 | 0.60 | — | — | |
| SCHEMBL7794484 | 0.59 | HTR2A (0.32) | — | |
| SCHEMBL7795049 | 0.58 | HTR2A (0.32) | — | |
| SCHEMBL217948 | 0.58 | BRD4 (0.32) | — | |
| SCHEMBL7790709 | 0.58 | MAOA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558607-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2005-08-03 | — | — | EP | claimed |
| WO-2004041813-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-05-21 | — | — | WO | claimed |
| EP-1558607-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041813-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-05-21 | — | — | WO | disclosed |