⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL989310 | 1.00 | — | — | |
| SCHEMBL7786363 | 1.00 | — | — | |
| SCHEMBL18389610 | 0.98 | — | — | |
| SCHEMBL988970 | 0.95 | — | — | |
| SCHEMBL9276339 | 0.94 | TAAR1 (0.57) | — | |
| SCHEMBL25394246 | 0.92 | — | — | |
| SCHEMBL22472046 | 0.92 | MGLL (0.73) | — | |
| SCHEMBL13593271 | 0.92 | KMT2A (0.56) | — | |
| SCHEMBL21891896 | 0.92 | MGLL (0.73) | — | |
| SCHEMBL6757093 | 0.92 | MGLL (0.73) | — |
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 5 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 |
| 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 |