⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8710256 | 0.87 | CA1 (0.35) | — | |
| SCHEMBL8015581 | 0.85 | P2RX7 (0.32) | — | |
| SCHEMBL8019301 | 0.80 | KDM4E (0.33) | — | |
| Bicarbonate SCHEMBL8022783 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL8015452 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL8019308 | 0.76 | KDM4E (0.37) | — | |
| SCHEMBL8022822 | 0.76 | POLB (0.33) | — | |
| SCHEMBL8708300 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL8017376 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL8005960 | 0.75 | POLB (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773920-B1 | 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES | BAYER AG (DE) | 2000-01-26 | — | — | EP | disclosed |
| US-5808135-A | HERBICIDE; PESTICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1998-09-15 | — | — | US | disclosed |
| EP-0773920-A1 | 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES | BAYER AG (DE) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996003366-A1 | 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-02-08 | — | — | WO | disclosed |