⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5598856 | 0.84 | — | — | |
| SCHEMBL5598475 | 0.81 | RXFP1 (0.30) | — | |
| SCHEMBL4451930 | 0.81 | HDAC4 (0.33) | — | |
| SCHEMBL4451929 | 0.81 | HDAC4 (0.33) | — | |
| SCHEMBL14051358 | 0.69 | TYR (0.46) | — | |
| SCHEMBL4440892 | 0.69 | HDAC4 (0.32) | — | |
| SCHEMBL7935947 | 0.68 | CNR2 (0.42) | — | |
| SCHEMBL11518269 | 0.67 | HDAC4 (0.51) | — | |
| SCHEMBL20931111 | 0.66 | CNR2 (0.37) | — | |
| SCHEMBL10447240 | 0.66 | TAAR1 (0.50) | — |
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-1789423-A2 | SILANE COMPOSITIONS, PROCESSES FOR THEIR PREPARATION AND RUBBER COMPOSITIONS CONTAINING SAME | General Electric Company (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006015010-A2 | SILANE COMPOSITIONS, PROCESSES FOR THEIR PREPARATION AND RUBBER COMPOSITIONS CONTAINING SAME | GENERAL ELECTRIC COMPAMY (US) | 2006-02-09 | — | — | WO | disclosed |