⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21891800 | 0.81 | — | — | |
| SCHEMBL21891755 | 0.79 | — | — | |
| SCHEMBL23130417 | 0.78 | — | — | |
| SCHEMBL21891754 | 0.78 | — | — | |
| SCHEMBL21891912 | 0.77 | — | — | |
| SCHEMBL23515462 | 0.76 | — | — | |
| SCHEMBL23130330 | 0.75 | CA1 (0.32) | — | |
| SCHEMBL21891728 | 0.73 | — | — | |
| SCHEMBL21184627 | 0.73 | — | — | |
| SCHEMBL23130357 | 0.73 | CA2 (0.34) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11352319-B2 | Method for producing carbamate and method for producing isocyanate | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2022-06-07 | — | — | US | disclosed |
| US-11118001-B2 | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2021-09-14 | — | — | US | disclosed |
| US-11078321-B2 | — | — | 2021-08-03 | — | — | US | disclosed |
| US-20210179548-A1 | METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2021-06-17 | — | — | US | disclosed |
| US-10968168-B2 | Isocyanate production method | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2021-04-06 | — | — | US | disclosed |
| EP-3626705-B1 | ISOCYANATE PRODUCTION METHOD | ASAHI CHEMICAL IND (JP) | 2021-03-24 | — | — | EP | disclosed |
| US-20200115327-A1 | ISOCYANATE PRODUCTION METHOD | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2020-04-16 | — | — | US | disclosed |
| US-20200048403-A1 | ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE COMPOSITION, AND METHOD FOR PRODUCING ISOCYANATE POLYMER | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2020-02-13 | — | — | US | disclosed |