⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1973593 | 0.73 | — | — | |
| SCHEMBL4273154 | 0.71 | GAA (0.31) | — | |
| SCHEMBL27680124 | 0.71 | — | — | |
| SCHEMBL6557170 | 0.70 | GAA (0.32) | — | |
| SCHEMBL150344 | 0.70 | — | — | |
| SCHEMBL1325803 | 0.70 | — | — | |
| SCHEMBL3889103 | 0.70 | — | — | |
| SCHEMBL9787698 | 0.70 | — | — | |
| SCHEMBL301181 | 0.70 | — | — | |
| SCHEMBL2964339 | 0.70 | — | — |
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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107963982-B | Polyisocyanate composition and isocyanate polymer composition | 旭化成株式会社 | 2021-11-12 | — | — | CN | claimed |
| CN-118215651-A | Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition | 旭化成株式会社 | 2024-06-18 | — | — | CN | disclosed |
| WO-2023080257-A1 | METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION | 旭化成株式会社 | 2023-05-11 | — | — | WO | disclosed |
| CN-112979917-B | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2023-04-25 | — | — | CN | disclosed |
| US-20230114799-A1 | ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2023-04-13 | — | — | US | disclosed |
| US-11548975-B2 | Isocyanate composition and method for producing isocyanate polymer | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2023-01-10 | — | — | US | disclosed |
| CN-109790269-B | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2022-06-14 | — | — | CN | disclosed |
| CN-109803992-B | Isocyanate composition and method for producing isocyanate polymer | 旭化成株式会社 | 2022-05-24 | — | — | CN | disclosed |
| CN-109843963-B | Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer | 旭化成株式会社 | 2022-05-13 | — | — | CN | disclosed |
| EP-3536683-B1 | POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION | ASAHI CHEMICAL IND (JP) | 2021-11-24 | — | — | EP | 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 |
| WO-2014042756-A1 | AMINOETHYLATION PROCESS FOR PRODUCING ARYLOXYALKYLENE AMINE COMPOUNDS | CHEVRON ORONITE COMPANY LLC (US) | 2014-03-20 | — | — | WO | disclosed |
| US-20140073814-A1 | AMINOETHYLATION PROCESS HAVING IMPROVED YIELD OF ARYLOXYALKYLENE AMINE COMPOUNDS AND REDUCED UREA BY-PRODUCTS | CHEVRON ORONITE COMPANY LLC (US) | 2014-03-13 | — | — | 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 |
| 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 |
| EP-0565488-B1 | Fluorine free titanocenes and their application | CIBA GEIGY AG (CH) | 1999-04-21 | — | — | EP | disclosed |
| US-5340701-A | Photoinitiators | CIBA-GEIGY CORPORATION (US) | 1994-08-23 | — | — | US | disclosed |
| EP-0565488-A1 | Fluorine free titanocenes and their application | CIBA-GEIGY AG (CH) | 1993-10-13 | — | — | EP | disclosed |