⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18155000 | 0.97 | — | — | |
| SCHEMBL5831274 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL10399420 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL11500557 | 0.71 | — | — | |
| SCHEMBL10399418 | 0.68 | — | — | |
| SCHEMBL5819477 | 0.67 | — | — | |
| SCHEMBL9792845 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL10399417 | 0.67 | — | — | |
| SCHEMBL3258986 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL10600459 | 0.66 | TSHR (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3334789-B1 | ANTI-CORROSION COMPOSITION COMPRISING AT LEAST A FIRST COMPOUND AND AT LEAST A SECOND COMPOUND | DENSO HOLDING GMBH & CO (DE) | 2022-09-28 | — | — | EP | disclosed |