⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1667484 | 0.84 | — | — | |
| SCHEMBL31424174 | 0.81 | — | — | |
| SCHEMBL27986726 | 0.81 | — | — | |
| SCHEMBL6520537 | 0.78 | — | — | |
| SCHEMBL21065612 | 0.76 | — | — | |
| SCHEMBL27785315 | 0.74 | — | — | |
| SCHEMBL21056135 | 0.72 | — | — | |
| SCHEMBL3683153 | 0.72 | — | — | |
| SCHEMBL1791369 | 0.72 | — | — | |
| SCHEMBL7156174 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119591836-A | High-temperature-resistant and high-humidity-resistant polyisocyanate composition and preparation method thereof | 万华化学集团股份有限公司 | 2025-03-11 | — | — | CN | claimed |
| CN-119591836-A | High-temperature-resistant and high-humidity-resistant polyisocyanate composition and preparation method thereof | 万华化学集团股份有限公司 | 2025-03-11 | — | — | CN | disclosed |
| CN-109642009-B | Silane-functional polymeric polyurethanes | 科思创德国股份有限公司 | 2021-12-10 | — | — | CN | disclosed |