⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7602971 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL7601808 | 0.76 | MAPT (0.34) | — | |
| SCHEMBL10621340 | 0.74 | — | — | |
| SCHEMBL252652 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL706899 | 0.68 | — | — | |
| SCHEMBL15864579 | 0.67 | — | — | |
| SCHEMBL2356526 | 0.66 | — | — | |
| SCHEMBL15865018 | 0.64 | CYP3A4 (0.31) | — | |
| SCHEMBL6555639 | 0.64 | — | — | |
| SCHEMBL28063132 | 0.64 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1022302-B1 | Catalyst system, process and silicone compositions | HENKEL LOCTITE CORP (US) | 2002-12-04 | — | — | EP | disclosed |
| US-6140444-A | Catalyst system, process, and silicone compositions | LOCTITE CORPORATION (US) | 2000-10-31 | — | — | US | disclosed |
| EP-1022302-A2 | Catalyst system, process and silicone compositions | LOCTITE CORPORATION (US) | 2000-07-26 | — | — | EP | disclosed |