⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5248815 | 0.82 | — | — | |
| SCHEMBL7258991 | 0.80 | — | — | |
| SCHEMBL5443738 | 0.80 | — | — | |
| SCHEMBL23797182 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL9468035 | 0.80 | — | — | |
| SCHEMBL8755181 | 0.78 | — | — | |
| SCHEMBL11129173 | 0.78 | — | — | |
| SCHEMBL16949968 | 0.77 | CA2 (0.31) | — | |
| SCHEMBL23797149 | 0.77 | — | — | |
| SCHEMBL8485976 | 0.77 | — | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020045723-A1 | PROCESS FOR THE PRODUCTION OF ETHER ISOCYANATES BACKGROUND OF THE INVENTION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-18 | — | — | US | claimed |
| EP-0764633-B1 | Process for the preparation of etherisocyanates | BAYER AG (DE) | 2001-01-03 | — | — | EP | claimed |
| EP-0764633-A2 | Process for the preparation of etherisocyanates | BAYER AG (DE) | 1997-03-26 | — | — | EP | claimed |
| US-11667768-B2 | Polyisocyanate compositions | VENCOREX FRANCE (FR) | 2023-06-06 | — | — | US | disclosed |
| US-20230086342-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | COVESTRO DEUTSCHLAND AG (DE) | 2023-03-23 | — | — | US | disclosed |
| EP-4118161-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | Covestro Deutschland AG (DE) | 2023-01-18 | — | — | EP | disclosed |
| US-11168192-B2 | Foamable polyamide composition and foam obtained therefrom | BASF SE (DE) | 2021-11-09 | — | — | US | disclosed |
| WO-2021180709-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | COVESTRO DEUTSCHLAND AG (DE) | 2021-09-16 | — | — | WO | disclosed |
| EP-3878914-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | Covestro Deutschland AG (DE) | 2021-09-15 | — | — | EP | disclosed |
| US-20200399439-A1 | NEW POLYISOCYANATE COMPOSITIONS | VENCOREX FRANCE (FR) | 2020-12-24 | — | — | US | disclosed |
| US-10773276-B2 | Method for forming multilayer coating film | NIPPON PAINT AUTOMOTIVE COATINGS CO., LTD. (JP) | 2020-09-15 | — | — | US | disclosed |
| WO-2008012281-A1 | COMPOSITION THAT CAN BE POLYMERIZED AND/OR CROSSLINKED WHEN IRRADIATED BY CATIONIC AND/OR RADICAL ROUTE | PERSTORP TOLONATES FRANCE (FR) | 2008-01-31 | — | — | WO | disclosed |
| US-7297746-B2 | Color stability of isocyanates | RHODIA INC. (US) | 2007-11-20 | — | — | US | disclosed |
| US-20060167124-A1 | Expandable polyamide composition and polyamide foam obtained therefrom | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2006-07-27 | — | — | US | disclosed |
| US-20050020766-A1 | Color stability of isocyanates | VENCOREX US, INC. | 2005-01-27 | — | — | US | disclosed |
| US-20020045723-A1 | PROCESS FOR THE PRODUCTION OF ETHER ISOCYANATES BACKGROUND OF THE INVENTION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-18 | — | — | US | disclosed |
| US-6291577-B1 | ADMIXING WITH POLYISOCYANATE A MOISTURE SCAVENGING COMPOUND SUCH AS 2,6-DITERTIARYBUTYL HYDROXYTOLUENE AND 2-TERTIARYBUTYL HYDROXYTOLUENE AND ALKYL ESTER TOLUENESULFONIC ACID AND SOLVENT | RHODIA INC. | 2001-09-18 | — | — | US | disclosed |
| EP-0764633-B1 | Process for the preparation of etherisocyanates | BAYER AG (DE) | 2001-01-03 | — | — | EP | disclosed |
| EP-0764633-A2 | Process for the preparation of etherisocyanates | BAYER AG (DE) | 1997-03-26 | — | — | EP | disclosed |
| EP-0764633-A2 | Process for the preparation of etherisocyanates | BAYER AG (DE) | 1997-03-26 | — | — | EP | disclosed |