⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8950824 | 0.89 | EPHX1 (0.48) | — | |
| SCHEMBL8950795 | 0.87 | EPHX1 (0.54) | — | |
| SCHEMBL8950801 | 0.85 | EPHX1 (0.57) | — | |
| SCHEMBL8950830 | 0.85 | EPHX1 (0.57) | — | |
| SCHEMBL8950805 | 0.85 | EPHX1 (0.57) | — | |
| SCHEMBL8950916 | 0.85 | EPHX1 (0.57) | — | |
| SCHEMBL8950926 | 0.85 | EPHX1 (0.57) | — | |
| SCHEMBL8950774 | 0.85 | EPHX1 (0.57) | — | |
| SCHEMBL8950788 | 0.85 | EPHX1 (0.57) | — | |
| SCHEMBL8950818 | 0.85 | EPHX1 (0.57) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0649835-A1 | Halopropiolamide compound, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-04-26 | — | — | EP | claimed |
| US-5538998-A | PEST CONTROL AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| EP-0649835-A1 | Halopropiolamide compound, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-04-26 | — | — | EP | disclosed |