⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12723087 | 0.82 | — | — | |
| SCHEMBL21891803 | 0.82 | — | — | |
| SCHEMBL29128981 | 0.81 | — | — | |
| SCHEMBL575915 | 0.81 | HCAR2 (0.34) | — | |
| SCHEMBL21891756 | 0.80 | — | — | |
| SCHEMBL7937806 | 0.79 | — | — | |
| SCHEMBL19919287 | 0.79 | — | — | |
| SCHEMBL21891753 | 0.78 | — | — | |
| SCHEMBL21891911 | 0.78 | — | — | |
| SCHEMBL10451050 | 0.78 | ALDH1A1 (0.45) | — |
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-4032686-A | ARTICLES COATED WITH A CURED COMPOSITION OF HYDROXY(POLYALKYLENECARBONYLOXY)ALKYLENEOXAZOLIDINE AND A POLYISOCYANATE | ROHM AND HAAS COMPANY (US) | 1977-06-28 | — | — | US | claimed |
| US-11352319-B2 | Method for producing carbamate and method for producing isocyanate | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2022-06-07 | — | — | 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 |
| US-20200115327-A1 | ISOCYANATE PRODUCTION METHOD | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2020-04-16 | — | — | US | disclosed |
| US-5023114-A | Method of hydrophilic coating of plastics | BIOCOAT INCORPORATED | 1991-06-11 | — | — | US | disclosed |
| US-4032686-A | ARTICLES COATED WITH A CURED COMPOSITION OF HYDROXY(POLYALKYLENECARBONYLOXY)ALKYLENEOXAZOLIDINE AND A POLYISOCYANATE | ROHM AND HAAS COMPANY (US) | 1977-06-28 | — | — | US | disclosed |
| US-4024117-A | HYDROXY-ALKYLENE-OXAZOLIDINE, ISOCYANATE | ROHM AND HAAS COMPANY (US) | 1977-05-17 | — | — | US | disclosed |