⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25176725 | 0.77 | — | — | |
| SCHEMBL8777755 | 0.73 | — | — | |
| SCHEMBL8085938 | 0.73 | — | — | |
| SCHEMBL2545911 | 0.69 | — | — | |
| SCHEMBL1335823 | 0.69 | — | — | |
| SCHEMBL9914281 | 0.69 | — | — | |
| SCHEMBL11041343 | 0.69 | — | — | |
| SCHEMBL11697926 | 0.65 | — | — | |
| SCHEMBL4199560 | 0.65 | — | — | |
| SCHEMBL28654359 | 0.65 | — | — |
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-118382612-A | Method for producing blocked isocyanate compound and method for producing isocyanate compound | 旭化成株式会社 | 2024-07-23 | — | — | CN | disclosed |
| CN-118215651-A | Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition | 旭化成株式会社 | 2024-06-18 | — | — | CN | disclosed |