⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9781982 | 0.97 | — | — | |
| SCHEMBL9781985 | 0.91 | POLB (0.46) | — | |
| SCHEMBL9782053 | 0.89 | POLB (0.46) | — | |
| SCHEMBL9781943 | 0.88 | FKBP1A (0.44) | — | |
| SCHEMBL9781995 | 0.87 | — | — | |
| SCHEMBL9782107 | 0.86 | POLB (0.43) | — | |
| SCHEMBL9782257 | 0.85 | — | — | |
| SCHEMBL10459458 | 0.84 | — | — | |
| SCHEMBL9782256 | 0.83 | POLB (0.41) | — | |
| SCHEMBL9620863 | 0.83 | POLB (0.58) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4997836-A | Inhibitor of platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | disclosed |
| EP-0368670-A1 | Trisubstituted piperazine compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-05-16 | — | — | EP | disclosed |