⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5164866 | 0.75 | — | — | |
| SCHEMBL9946309 | 0.75 | — | — | |
| SCHEMBL1470817 | 0.75 | — | — | |
| SCHEMBL23351119 | 0.72 | — | — | |
| SCHEMBL26266681 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL23825020 | 0.67 | — | — | |
| SCHEMBL835616 | 0.67 | MAPT (0.31) | — | |
| SCHEMBL23825103 | 0.65 | — | — | |
| SCHEMBL23825163 | 0.65 | — | — | |
| SCHEMBL8818506 | 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-1242429-A1 | FUNCTIONALISED SILANE-BASED COMPOUNDS, METHODS FOR PRODUCING THEM AND THEIR USE IN THE AREA OF RUBBER MATERIALS | RHODIA CHIMIE (FR) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001049694-A1 | FUNCTIONALISED SILANE-BASED COMPOUNDS, METHODS FOR PRODUCING THEM AND THEIR USE IN THE AREA OF RUBBER MATERIALS | RHODIA CHIMIE (FR) | 2001-07-12 | — | — | WO | disclosed |