⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11356041 | 0.98 | EPHX1 (0.30) | — | |
| SCHEMBL3678676 | 0.79 | — | — | |
| SCHEMBL3668842 | 0.76 | — | — | |
| SCHEMBL2340948 | 0.74 | — | — | |
| SCHEMBL1075728 | 0.73 | — | — | |
| Bromide SCHEMBL28390795 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL3674383 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL26127518 | 0.73 | MEN1 (0.30) | — | |
| SCHEMBL15540957 | 0.71 | GAA (0.31) | — | |
| SCHEMBL15541917 | 0.71 | GAA (0.31) | — |
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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240368335-A1 | PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE | BASF SE (DE) | 2024-11-07 | — | — | US | claimed |
| EP-4347556-A1 | PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE | BASF SE (DE) | 2024-04-10 | — | — | EP | claimed |
| WO-2022248448-A1 | PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE | BASF SE (DE) | 2022-12-01 | — | — | WO | claimed |
| EP-2128128-B1 | Separating ammonium chloride from the gas phase | BAYER IP GMBH (DE) | 2015-07-29 | — | — | EP | claimed |
| US-9029594-B2 | Separation of ammonium chloride from the gas phase of an isocyanate production process | BAYER MATERIALSCIENCE AG (DE) | 2015-05-12 | — | — | US | claimed |
| US-20100010257-A1 | SEPARATION OF AMMONIUM CHLORIDE FROM THE GAS PHASE OF AN ISOCYANATE PRODUCTION PROCESS | BAYER MATERIALSCIENCE AG (DE) | 2010-01-14 | — | — | US | claimed |
| EP-2128128-A1 | Separating ammonium chloride from the gas phase | Bayer MaterialScience AG (DE) | 2009-12-02 | — | — | EP | claimed |
| EP-2128127-A1 | Separating ammonium chloride from the gas phase | Bayer MaterialScience AG (DE) | 2009-12-02 | — | — | EP | claimed |
| EP-4403589-B1 | A PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE FROM SOLID MATERIAL W | BASF SE (DE) | 2026-04-15 | — | — | EP | disclosed |
| US-12590055-B2 | Process for producing isocyanates | BASF SE (DE) | 2026-03-31 | — | — | US | disclosed |
| EP-4652215-A1 | A PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE FROM A SOLID MATERIAL W | BASF SE (DE) | 2025-11-26 | — | — | EP | disclosed |
| EP-4634151-A1 | PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE FROM CO2 | BASF SE (DE) | 2025-10-22 | — | — | EP | disclosed |
| EP-4247784-B1 | PROCESS FOR PRODUCING ISOCYANATES | BASF SE (DE) | 2025-01-29 | — | — | EP | disclosed |
| US-20240368335-A1 | PROCESS FOR PREPARING AT LEAST ONE POLYISOCYANATE | BASF SE (DE) | 2024-11-07 | — | — | US | disclosed |
| US-20090054684-A1 | PROCESSES FOR PREPARING LOW-CHLORINE ISOCYANATES | BAYER MATERIALSCIENCE AG (DE) | 2009-02-26 | — | — | US | disclosed |
| EP-2028179-A1 | Production of isocyanates with low chlorine content | Bayer MaterialScience AG (DE) | 2009-02-25 | — | — | EP | disclosed |
| EP-2028178-A1 | Manufacture of isocyanates with low chlorine content | Bayer MaterialScience AG (DE) | 2009-02-25 | — | — | EP | disclosed |
| EP-0749958-B1 | Process for the preparation of triisocyanates | BAYER AG (DE) | 1999-10-20 | — | — | EP | disclosed |
| US-5633396-A | Process for preparing triisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1997-05-27 | — | — | US | disclosed |
| EP-0749958-A1 | Process for the preparation of triisocyanates | BAYER AG (DE) | 1996-12-27 | — | — | EP | disclosed |