⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12736716 | 0.75 | — | — | |
| SCHEMBL11890395 | 0.75 | — | — | |
| SCHEMBL4583967 | 0.75 | — | — | |
| SCHEMBL10931279 | 0.71 | — | — | |
| SCHEMBL5157165 | 0.71 | — | — | |
| Isobutane SCHEMBL15936398 | 0.70 | — | — | |
| SCHEMBL15936400 | 0.67 | — | — | |
| SCHEMBL333375 | 0.65 | — | — | |
| SCHEMBL333376 | 0.65 | — | — | |
| SCHEMBL4364590 | 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 3 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 |
| 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 |