⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5248266 | 1.00 | — | — | |
| SCHEMBL4388305 | 0.91 | BRD4 (0.32) | — | |
| SCHEMBL4388301 | 0.91 | BRD4 (0.32) | — | |
| SCHEMBL4388298 | 0.91 | BRD4 (0.32) | — | |
| SCHEMBL4373300 | 0.77 | TP53 (0.30) | — | |
| SCHEMBL4373293 | 0.77 | TP53 (0.30) | — | |
| SCHEMBL4373298 | 0.77 | TP53 (0.30) | — | |
| SCHEMBL5214704 | 0.73 | KMT2A (0.38) | — | |
| SCHEMBL5214696 | 0.73 | KMT2A (0.38) | — | |
| SCHEMBL14463964 | 0.73 | KMT2A (0.38) | — |
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-1817033-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | Allergan, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006058080-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALLERGAN, INC. (US) | 2006-06-01 | — | — | WO | disclosed |