⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1286423 | 0.82 | PGK1 (0.58) | — | |
| SCHEMBL18341413 | 0.82 | PGD (0.67) | — | |
| SCHEMBL18341350 | 0.82 | PGD (0.67) | — | |
| Methacrylic Acid SCHEMBL28655463 | 0.81 | PGK1 (0.52) | — | |
| SCHEMBL1079057 | 0.78 | — | — | |
| SCHEMBL3427398 | 0.78 | — | — | |
| SCHEMBL16416132 | 0.78 | PGD (0.61) | — | |
| SCHEMBL5000804 | 0.78 | PGD (0.61) | — | |
| SCHEMBL3344507 | 0.78 | — | — | |
| SCHEMBL18642460 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119463791-A | Bio-based polyurethane flame-retardant structural adhesive for rail transit and preparation method thereof | 中国科学院青岛生物能源与过程研究所 | 2025-02-18 | — | — | CN | disclosed |
| CN-113372747-B | Intrinsic flame-retardant transparent organic silicon fireproof coating and preparation method thereof | 北京化工大学 | 2022-04-26 | — | — | CN | disclosed |
| EP-1312630-B1 | Process for the production of flexible polyurethane foams | TOSOH CORP (JP) | 2012-12-12 | — | — | EP | disclosed |
| US-7572837-B2 | Process for the production of flexible polyurethane foams | TOSOH CORPORATION (JP) | 2009-08-11 | — | — | US | disclosed |
| US-20030144371-A1 | Catalyzing the copolymerization in presence of imidazole compounds, free of tin comound, forming polyetherurethane copolymers | TOSOH CORPORATION (JP) | 2003-07-31 | — | — | US | disclosed |
| EP-1312630-A1 | Process for the production of flexible polyurethane foams | Tosoh Corporation (JP) | 2003-05-21 | — | — | EP | disclosed |