⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1970573 | 0.76 | APOBEC3G (0.38) | — | |
| SCHEMBL7187784 | 0.73 | — | — | |
| SCHEMBL5378592 | 0.73 | CA2 (0.38) | — | |
| SCHEMBL9985874 | 0.73 | — | — | |
| SCHEMBL10883264 | 0.69 | SIRT1 (0.38) | — | |
| SCHEMBL4129001 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL199800 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL4121391 | 0.67 | CYP1A2 (0.48) | — | |
| SCHEMBL11120952 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL9018900 | 0.67 | SMN1; SMN2 (0.40) | — |
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-7279484-B2 | Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease | AJINOMOTO CO., INC. (JP) | 2007-10-09 | — | — | US | disclosed |
| US-20050250796-A1 | Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease | AJINOMOTO CO., INC. (JP) | 2005-11-10 | — | — | US | disclosed |