⚠ 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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL477627 | 0.90 | — | — | |
| Fluoride Ion SCHEMBL131861 | 0.90 | ALDH1A1 (0.33) | — | |
| Fluoride Ion SCHEMBL728564 | 0.90 | ALDH1A1 (0.33) | — | |
| Fluoride Ion SCHEMBL963997 | 0.90 | — | — | |
| SCHEMBL1736341 | 0.89 | ALDH1A1 (0.40) | — | |
| SCHEMBL124190 | 0.89 | — | — | |
| SCHEMBL30 | 0.89 | — | — | |
| Fluoride SCHEMBL1062136 | 0.86 | ALDH1A1 (0.31) | — | |
| Fluoride SCHEMBL3926229 | 0.86 | ALDH1A1 (0.31) | — | |
| Fluoride SCHEMBL633913 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7691898-B2 | Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia | KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) | 2010-04-06 | — | — | US | disclosed |
| US-20080119441-A1 | Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia | KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) | 2008-05-22 | — | — | US | disclosed |
| EP-1813620-A1 | PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES | Kotobuki Pharmaceutical Co., Ltd. (JP) | 2007-08-01 | — | — | EP | disclosed |