⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6715638 | 0.97 | — | — | |
| SCHEMBL7676365 | 0.93 | — | — | |
| SCHEMBL1965202 | 0.67 | — | — | |
| SCHEMBL19458936 | 0.65 | — | — | |
| SCHEMBL16424610 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL11685212 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL2155746 | 0.65 | — | — | |
| SCHEMBL2154881 | 0.62 | ALDH1A1 (0.50) | — | |
| SCHEMBL12393332 | 0.62 | ALDH1A1 (0.50) | — | |
| SCHEMBL21467312 | 0.62 | ALDH1A1 (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4317160-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Kumiai Chemical Industry Co., Ltd. (JP) | 2024-02-07 | — | — | EP | disclosed |
| CN-117098759-A | Heterocyclic compounds and their use | 组合化学工业株式会社 | 2023-11-21 | — | — | CN | disclosed |
| US-6444616-B1 | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-03 | — | — | US | disclosed |
| US-6130225-A | Substituted p-trifluoromethylphenyluracils | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |
| EP-0923562-A1 | SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS | BAYER AG (DE) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998006706-A1 | SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-19 | — | — | WO | disclosed |