⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28960154 | 0.83 | — | — | |
| SCHEMBL22551606 | 0.79 | — | — | |
| SCHEMBL28296502 | 0.75 | — | — | |
| SCHEMBL22551601 | 0.73 | TP53 (0.30) | — | |
| SCHEMBL27651678 | 0.72 | — | — | |
| SCHEMBL27631565 | 0.69 | — | — | |
| SCHEMBL22551611 | 0.68 | — | — | |
| SCHEMBL22283403 | 0.67 | — | — | |
| SCHEMBL4659594 | 0.67 | — | — | |
| SCHEMBL28901372 | 0.66 | ARG1 (0.35) | — |
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 4 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-117264175-A | Polyisocyanate composition, aqueous coating composition, coated substrate, and method for producing polyisocyanate composition | 旭化成株式会社 | 2023-12-22 | — | — | CN | disclosed |
| CN-117229476-A | Polyisocyanate composition, blocked polyisocyanate composition, polyurethane resin composition, coating composition, and coated substrate | 旭化成株式会社 | 2023-12-15 | — | — | CN | disclosed |
| CN-109843955-A | Polyisocyantates composition | 旭化成株式会社 | 2019-06-04 | — | — | CN | disclosed |