⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29074445 | 0.85 | — | — | |
| SCHEMBL28298141 | 0.75 | — | — | |
| SCHEMBL22551606 | 0.74 | — | — | |
| SCHEMBL2777669 | 0.71 | CDC25A (0.33) | — | |
| SCHEMBL17111639 | 0.70 | CDC25A (0.38) | — | |
| SCHEMBL27449789 | 0.70 | SLC6A4 (0.34) | — | |
| SCHEMBL11271166 | 0.69 | CDC25A (0.31) | — | |
| SCHEMBL22551601 | 0.69 | TP53 (0.30) | — | |
| SCHEMBL27651678 | 0.68 | — | — | |
| SCHEMBL8619372 | 0.68 | PTGS1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112996771-B | Polyisocyanate composition, coating composition and coated substrate | 旭化成株式会社 | 2023-08-01 | — | — | CN | claimed |
| CN-109843955-A | Polyisocyantates composition | 旭化成株式会社 | 2019-06-04 | — | — | CN | disclosed |