⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2936034 | 0.87 | ALDH1A1 (0.41) | — | |
| SCHEMBL2936021 | 0.80 | — | — | |
| SCHEMBL12509998 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL20320475 | 0.77 | MEN1 (0.41) | — | |
| SCHEMBL2265756 | 0.76 | — | — | |
| SCHEMBL11845675 | 0.76 | — | — | |
| SCHEMBL16848183 | 0.76 | GABRA1 (0.36) | — | |
| SCHEMBL5924338 | 0.76 | — | — | |
| SCHEMBL13412816 | 0.72 | ADORA2A (0.32) | — | |
| SCHEMBL20710127 | 0.71 | ADORA2A (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | disclosed |
| EP-3082807-B1 | THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-07-04 | — | — | EP | disclosed |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | disclosed |
| US-9783531-B2 | Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-10-10 | — | — | US | disclosed |
| US-20160311813-A1 | THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-10-27 | — | — | US | disclosed |
| US-20100267596-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASE SE (DE) | 2010-10-21 | — | — | US | disclosed |
| EP-2229365-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASF SE (DE) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009077452-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASF SE (DE) | 2009-06-25 | — | — | WO | disclosed |