⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5161809 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL15436978 | 0.85 | HCAR2 (0.31) | — | |
| SCHEMBL21952113 | 0.85 | HCAR2 (0.31) | — | |
| SCHEMBL7795238 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL1759715 | 0.82 | KDM4E (0.39) | — | |
| SCHEMBL1759711 | 0.82 | KDM4E (0.39) | — | |
| SCHEMBL28319856 | 0.82 | KDM4E (0.39) | — | |
| SCHEMBL4466781 | 0.76 | HCAR2 (0.49) | — | |
| SCHEMBL11030185 | 0.75 | — | — | |
| SCHEMBL26616670 | 0.73 | ACHE (0.32) | — |
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-20140031487-A1 | EPOXIDISED ELASTOMER COMPOSITIONS MODIFIED BY SILANES | RHODIA OPERATION (FR) | 2014-01-30 | — | — | US | claimed |
| US-4395507-A | SILYLALKYL CARBOXYLATE OR SIOCYANURATE | GENERAL ELECTRIC SILICONES (US) | 1983-07-26 | — | — | US | disclosed |