⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL774999 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL5697048 | 0.77 | LMNA (0.35) | — | |
| SCHEMBL4713922 | 0.77 | — | — | |
| SCHEMBL9023017 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL9023021 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL1319863 | 0.69 | — | — | |
| SCHEMBL13976468 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL138697 | 0.66 | ALDH1A1 (0.36) | — | |
| Phosphoric Acid SCHEMBL28731937 | 0.66 | ALDH1A1 (0.57) | — | |
| SCHEMBL21693639 | 0.64 | DGAT1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0654035-B1 | PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES | UPJOHN CO (US) | 1997-08-20 | — | — | EP | disclosed |
| US-5643895-A | Phosphonoacetic esters and acids as anti-inflammatories | THE UPJOHN COMPANY (US) | 1997-07-01 | — | — | US | disclosed |
| US-5565441-A | AN N-HETEROCYCLE DERIVATIVE; ANTIARTHRITIC AGENTS; DISEASES CHARACTERIZED BY ABNORMAL PHOSPHATE AND CALCIUM METABOLISM; CHRONIC DISEASES | THE UPJOHN COMPANY (US) | 1996-10-15 | — | — | US | disclosed |