⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2831422 | 0.86 | — | — | |
| SCHEMBL5611782 | 0.86 | — | — | |
| SCHEMBL9740379 | 0.82 | — | — | |
| SCHEMBL6901039 | 0.79 | — | — | |
| SCHEMBL891317 | 0.79 | — | — | |
| SCHEMBL891318 | 0.79 | — | — | |
| SCHEMBL1669562 | 0.74 | — | — | |
| SCHEMBL9634883 | 0.74 | CYP1A1 (0.30) | — | |
| SCHEMBL9322751 | 0.73 | — | — | |
| SCHEMBL19451079 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003046096-A1 | ELASTOMER TOUGHENED RADIATION CURABLE ADHESIVES | HENKEL CORPORATION (US) | 2003-06-05 | — | — | WO | claimed |
| WO-2003046096-A1 | ELASTOMER TOUGHENED RADIATION CURABLE ADHESIVES | HENKEL CORPORATION (US) | 2003-06-05 | — | — | WO | disclosed |
| US-6210790-B1 | TRANSPARENCY, HARDNESS, ABRASION-RESISTANCE | RENSSELAER POLYTECHNIC INSTITUTE | 2001-04-03 | — | — | US | disclosed |