⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11589718 | 0.79 | — | — | |
| SCHEMBL537264 | 0.78 | — | — | |
| SCHEMBL16679069 | 0.78 | — | — | |
| SCHEMBL5697626 | 0.78 | GAA (0.38) | — | |
| SCHEMBL9439172 | 0.77 | MAOB (0.30) | — | |
| SCHEMBL6158870 | 0.77 | — | — | |
| SCHEMBL7913119 | 0.75 | — | — | |
| SCHEMBL11339909 | 0.74 | — | — | |
| SCHEMBL15006627 | 0.70 | — | — | |
| SCHEMBL75325 | 0.69 | GAA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6204351-B1 | POLYURETHANE POWDER COATING | HUELS AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |
| EP-0839845-B1 | Blocked polyisocyanates with built-in HALS-stabilizer | DEGUSSA (DE) | 2000-05-10 | — | — | EP | disclosed |
| EP-0839844-A1 | Lacquers polyisocyanates with built-in HALS-stabilizer | HÜLS AKTIENGESELLSCHAFT (DE) | 1998-05-06 | — | — | EP | disclosed |