⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7677175 | 0.93 | — | — | |
| SCHEMBL7671059 | 0.90 | — | — | |
| SCHEMBL7673642 | 0.86 | — | — | |
| SCHEMBL24341909 | 0.73 | — | — | |
| SCHEMBL22843151 | 0.73 | — | — | |
| SCHEMBL24806836 | 0.69 | — | — | |
| SCHEMBL25053860 | 0.67 | — | — | |
| SCHEMBL2154166 | 0.65 | — | — | |
| SCHEMBL16424322 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL24663499 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58154527-A | — | — | None | — | — | JP | disclosed |
| US-20230012262-A1 | LPA RECEPTOR ANTAGONISTS AND USES THEREOF | GILEAD SCIENCES, INC. | 2023-01-12 | — | — | US | 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 |
| JP-S58154527-A | PREPARATION OF 2-ARYL-2-CYCLOPENTENONE DERIVATIVE | SAGAMI CHEM RES CENTER | 1983-09-14 | — | — | JP | disclosed |