⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21891742 | 0.79 | RNPEP (0.33) | — | |
| SCHEMBL23130163 | 0.79 | RNPEP (0.33) | — | |
| SCHEMBL21891760 | 0.78 | — | — | |
| SCHEMBL21891792 | 0.78 | — | — | |
| SCHEMBL4965509 | 0.77 | — | — | |
| SCHEMBL4424773 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL14497727 | 0.75 | TSHR (0.41) | — | |
| Acetic Acid SCHEMBL6156691 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL6896191 | 0.73 | L3MBTL1 (0.46) | — | |
| SCHEMBL11625761 | 0.73 | L3MBTL1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |