⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9638274 | 0.85 | — | — | |
| SCHEMBL9638720 | 0.75 | HPN (0.33) | — | |
| SCHEMBL9637886 | 0.75 | — | — | |
| SCHEMBL7778455 | 0.71 | NQO2 (0.34) | — | |
| SCHEMBL16433700 | 0.71 | — | — | |
| SCHEMBL666215 | 0.67 | TP53 (0.33) | — | |
| SCHEMBL28092636 | 0.66 | CYP1A2 (0.39) | — | |
| SCHEMBL9155768 | 0.63 | FFAR4 (0.39) | — | |
| SCHEMBL24846428 | 0.61 | ALDH1A1 (0.40) | — | |
| SCHEMBL4470742 | 0.61 | ACHE (0.35) | — |
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-5153183-A | Antiarthritic agents | TORAY INDUSTRIES, INC. (JP) | 1992-10-06 | — | — | US | disclosed |
| EP-0440809-A1 | METHYLENEDIPHOSPHONIC ACID COMPOUND AND ANTI-INFLAMMATORY CONTAINING THE SAME AS ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 1991-08-14 | — | — | EP | disclosed |