⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67703 | 0.70 | — | — | |
| SCHEMBL57647 | 0.70 | — | — | |
| SCHEMBL7627396 | 0.69 | — | — | |
| Phosphoric Acid SCHEMBL28295230 | 0.65 | ALDH1A1 (0.60) | — | |
| SCHEMBL86002 | 0.65 | — | — | |
| Phosphoric Acid SCHEMBL29250066 | 0.65 | ALDH1A1 (0.60) | — | |
| SCHEMBL5775798 | 0.65 | — | — | |
| Phosphoric Acid SCHEMBL11907980 | 0.65 | — | — | |
| SCHEMBL10882405 | 0.65 | — | — | |
| Phosphoric Acid SCHEMBL2931242 | 0.65 | ALDH1A1 (0.60) | — |
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 |