⚠ 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 | |
|---|---|---|---|---|
| Propynal SCHEMBL9393 | 0.95 | — | — | |
| Propynal SCHEMBL6790133 | 0.90 | — | — | |
| Propynal SCHEMBL11569431 | 0.90 | — | — | |
| Propynal SCHEMBL11693493 | 0.90 | — | — | |
| Propynal SCHEMBL3631191 | 0.76 | — | — | |
| Propynal SCHEMBL5913822 | 0.76 | — | — | |
| Thiosulfuric Acid SCHEMBL27971982 | 0.69 | — | — | |
| Thiophene SCHEMBL28112176 | 0.69 | — | — | |
| SCHEMBL5100810 | 0.56 | — | — | |
| SCHEMBL2782776 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6313150-B1 | FOR CONTROLLING PHYTOPATHOGENIC FUNGI | SHIONOGI & CO., LTD. (JP) | 2001-11-06 | — | — | US | disclosed |
| EP-0754672-B1 | GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME | SHIONOGI & CO (JP) | 2000-10-11 | — | — | EP | disclosed |
| US-5948819-A | α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it | SHIONOGI & CO., LTD (JP) | 1999-09-07 | — | — | US | disclosed |
| EP-0754672-A1 | GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME | SHIONOGI & CO., LTD. (JP) | 1997-01-22 | — | — | EP | disclosed |