⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL4967447 | 0.93 | — | — | |
| SCHEMBL133255 | 0.91 | — | — | |
| SCHEMBL10861388 | 0.91 | — | — | |
| SCHEMBL21175596 | 0.89 | — | — | |
| SCHEMBL21891819 | 0.86 | — | — | |
| SCHEMBL26108644 | 0.85 | CA1 (0.33) | — | |
| SCHEMBL23721647 | 0.84 | — | — | |
| SCHEMBL1271466 | 0.84 | — | — | |
| SCHEMBL21891821 | 0.84 | — | — | |
| SCHEMBL12565590 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |