⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1834579 | 0.87 | KDM4E (0.38) | — | |
| SCHEMBL1839944 | 0.85 | GABRA1 (0.38) | — | |
| SCHEMBL1838175 | 0.84 | ESR1 (0.33) | — | |
| SCHEMBL1838638 | 0.83 | TYR (0.36) | — | |
| SCHEMBL1841722 | 0.82 | KLF10 (0.31) | — | |
| SCHEMBL1839820 | 0.82 | TYR (0.38) | — | |
| SCHEMBL1837434 | 0.82 | TYR (0.38) | — | |
| SCHEMBL1838109 | 0.82 | TYR (0.38) | — | |
| SCHEMBL1836736 | 0.82 | TYR (0.38) | — | |
| SCHEMBL1840315 | 0.82 | TYR (0.38) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3838892-B1 | METHOD FOR PRODUCING ISOCYANATE | ASAHI CHEMICAL IND (JP) | 2022-10-12 | — | — | EP | disclosed |
| EP-3293173-B1 | METHOD FOR PRODUCING ISOCYANATE | ASAHI CHEMICAL IND (JP) | 2021-07-28 | — | — | EP | disclosed |
| EP-3838892-A1 | METHOD FOR PRODUCING ISOCYANATE | Asahi Kasei Kabushiki Kaisha (JP) | 2021-06-23 | — | — | EP | disclosed |
| EP-2980066-B1 | METHOD FOR PRODUCING ISOCYANATE | ASAHI CHEMICAL IND (JP) | 2021-04-21 | — | — | EP | disclosed |
| EP-3153499-B1 | METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER | ASAHI CHEMICAL IND (JP) | 2018-09-19 | — | — | EP | disclosed |
| EP-3293173-A1 | METHOD FOR PRODUCING ISOCYANATE | Asahi Kasei Kabushiki Kaisha (JP) | 2018-03-14 | — | — | EP | disclosed |
| EP-2322504-B9 | PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER | ASAHI CHEMICAL IND (JP) | 2017-09-06 | — | — | EP | disclosed |
| US-9714215-B2 | Method for producing isocyanate | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2017-07-25 | — | — | US | disclosed |
| EP-3153499-A1 | METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2017-04-12 | — | — | EP | disclosed |
| EP-3153500-A1 | METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2017-04-12 | — | — | EP | disclosed |
| US-20150038742-A1 | N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2015-02-05 | — | — | US | disclosed |
| US-8884047-B2 | N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-11-11 | — | — | US | disclosed |
| CN-102471244-B | Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound | ASAHI CHEMICAL CORP | 2014-09-24 | — | — | CN | disclosed |
| US-20140194644-A1 | N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-07-10 | — | — | US | disclosed |
| US-20140194650-A1 | N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-07-10 | — | — | US | disclosed |
| US-8658819-B2 | N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2014-02-25 | — | — | US | disclosed |
| US-20110160476-A1 | N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-06-30 | — | — | US | disclosed |
| CN-102105439-A | Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate | ASAHI KASEI CHEMICALS CORP (JP) | 2011-06-22 | — | — | CN | disclosed |
| US-20110133121-A1 | N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-06-09 | — | — | US | disclosed |
| EP-2322504-A1 | PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER | Asahi Kasei Chemicals Corporation (JP) | 2011-05-18 | — | — | EP | disclosed |