⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15158139 | 0.98 | — | — | |
| SCHEMBL633805 | 0.93 | — | — | |
| SCHEMBL15158033 | 0.86 | — | — | |
| SCHEMBL17272678 | 0.83 | — | — | |
| SCHEMBL15158188 | 0.81 | — | — | |
| SCHEMBL478006 | 0.80 | THRB (0.36) | — | |
| SCHEMBL6007776 | 0.80 | THRB (0.36) | — | |
| SCHEMBL3104636 | 0.80 | THRB (0.36) | — | |
| SCHEMBL10529804 | 0.79 | — | — | |
| SCHEMBL17272667 | 0.79 | — | — |
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-3609928-A1 | DIENE ELASTOMER MODIFIED BY A GROUP COMPRISING A SILICON ATOM, PROCESS FOR THE SYNTHESIS THEREOF AND RUBBER COMPOSITION CONTAINING SAME | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2020-02-19 | — | — | EP | disclosed |