⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28222334 | 0.77 | — | — | |
| SCHEMBL13373285 | 0.73 | — | — | |
| SCHEMBL6443029 | 0.72 | — | — | |
| SCHEMBL454530 | 0.72 | — | — | |
| SCHEMBL6443027 | 0.72 | — | — | |
| SCHEMBL454529 | 0.72 | — | — | |
| SCHEMBL9142690 | 0.72 | — | — | |
| SCHEMBL4202497 | 0.72 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL13373277 | 0.71 | — | — | |
| SCHEMBL10947745 | 0.70 | RECQL (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029535-A1 | ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER | AstraZeneca AB (SE) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007139464-A1 | ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER | ASTRAZENECA AB (SE) | 2007-12-06 | — | — | WO | disclosed |