⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10758047 | 0.79 | — | — | |
| SCHEMBL1364479 | 0.69 | — | — | |
| SCHEMBL10900865 | 0.68 | — | — | |
| SCHEMBL5599068 | 0.67 | — | — | |
| SCHEMBL6720447 | 0.67 | — | — | |
| SCHEMBL4134246 | 0.65 | — | — | |
| SCHEMBL4129074 | 0.65 | — | — | |
| SCHEMBL6722117 | 0.65 | — | — | |
| SCHEMBL4129075 | 0.65 | — | — | |
| SCHEMBL4134248 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0374559-A2 | Substituted-2-phenyl-2,2-difluoroethyl thiocarbonates, process for their preparation and their use as herbicides | BAYER AG (DE) | 1990-06-27 | — | — | EP | claimed |
| EP-0804425-A2 | BENZODIAZEPINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-05 | — | — | EP | disclosed |
| US-4650868-A | 7-deazapurine derivatives useful as antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-03-17 | — | — | US | disclosed |
| EP-0160910-A2 | 7-Deazapurine derivatives and their production | Takeda Chemical Industries, Ltd. (JP) | 1985-11-13 | — | — | EP | disclosed |
| EP-0000644-A2 | Lower cycloalkyl substituted-benzene derivatives, the preparation thereof and their pharmaceutical compositions | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1979-02-07 | — | — | EP | disclosed |