⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9675437 | 0.74 | — | — | |
| SCHEMBL21838282 | 0.74 | — | — | |
| SCHEMBL21906463 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL22654527 | 0.69 | THRB (0.44) | — | |
| SCHEMBL25722 | 0.69 | THRB (0.44) | — | |
| SCHEMBL187652 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL1425644 | 0.67 | THRB (0.42) | — | |
| SCHEMBL6374192 | 0.67 | — | — | |
| SCHEMBL3315438 | 0.67 | — | — | |
| SCHEMBL7803128 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3898831-A1 | RUBBER COMPOSITION | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020128250-A1 | RUBBER COMPOSITION | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2020-06-25 | — | — | WO | disclosed |