⚠ 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 | 0.95 | — | — | |
| SCHEMBL7786363 | 0.95 | — | — | |
| SCHEMBL21891729 | 0.95 | — | — | |
| SCHEMBL18389610 | 0.93 | — | — | |
| SCHEMBL9276339 | 0.89 | TAAR1 (0.57) | — | |
| SCHEMBL25394246 | 0.87 | — | — | |
| SCHEMBL21891896 | 0.87 | MGLL (0.73) | — | |
| SCHEMBL22472046 | 0.87 | MGLL (0.73) | — | |
| SCHEMBL6757093 | 0.87 | MGLL (0.73) | — | |
| SCHEMBL13593271 | 0.87 | KMT2A (0.56) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11306055-B2 | Isocyanate production method | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2022-04-19 | — | — | US | disclosed |
| EP-3626704-B1 | ISOCYANATE PRODUCTION METHOD | ASAHI CHEMICAL IND (JP) | 2021-11-24 | — | — | EP | disclosed |
| US-20200216387-A1 | ISOCYANATE PRODUCTION METHOD | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2020-07-09 | — | — | US | disclosed |
| EP-3626704-A1 | ISOCYANATE PRODUCTION METHOD | Asahi Kasei Kabushiki Kaisha (JP) | 2020-03-25 | — | — | EP | disclosed |
| EP-2275405-B1 | PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE | ASAHI CHEMICAL IND (JP) | 2019-04-24 | — | — | EP | disclosed |
| US-8895774-B2 | Process for producing isocyanates using diaryl carbonate | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| EP-2325167-A1 | METHOD FOR PRODUCING CARBAMATE COMPOUND | Ube Industries, Ltd. (JP) | 2011-05-25 | — | — | EP | disclosed |
| US-20110054211-A1 | PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-03-03 | — | — | US | disclosed |
| EP-2275405-A1 | PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE | Asahi Kasei Chemicals Corporation (JP) | 2011-01-19 | — | — | EP | disclosed |