⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3841519 | 0.75 | — | — | |
| SCHEMBL12275635 | 0.60 | — | — | |
| SCHEMBL9153027 | 0.60 | — | — | |
| SCHEMBL6549570 | 0.57 | — | — | |
| SCHEMBL1413367 | 0.55 | — | — | |
| SCHEMBL5964396 | 0.52 | — | — | |
| SCHEMBL50647 | 0.52 | — | — | |
| SCHEMBL1651208 | 0.46 | — | — | |
| SCHEMBL367548 | 0.46 | — | — | |
| SCHEMBL244747 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-58018369-A | — | — | None | — | — | JP | disclosed |
| EP-0046658-B1 | PRODUCTION OF TRIAZOLYLVINYL KETONES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-10-24 | — | — | EP | disclosed |
| US-4379921-A | FROM CHLOROBENZALPINACOLONES AND 1,2,4-TRIAZOLE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-04-12 | — | — | US | disclosed |
| JP-S5818369-A | PREPARATION OF BISTRIAZOLYL KETONIC COMPOUND | SUMITOMO CHEM CO LTD | 1983-02-02 | — | — | JP | disclosed |
| EP-0046658-A2 | Production of triazolylvinyl ketones | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-03-03 | — | — | EP | disclosed |