⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL195750 | 0.79 | — | — | |
| SCHEMBL1822063 | 0.77 | — | — | |
| SCHEMBL107483 | 0.77 | — | — | |
| SCHEMBL1820884 | 0.77 | — | — | |
| SCHEMBL17971363 | 0.75 | — | — | |
| SCHEMBL9793701 | 0.75 | — | — | |
| SCHEMBL3326351 | 0.75 | — | — | |
| SCHEMBL2317854 | 0.75 | — | — | |
| SCHEMBL16306456 | 0.74 | — | — | |
| SCHEMBL16029664 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5248694-A | Fungicides | RIKAGAKU KENKYUSHO (JP) | 1993-09-28 | — | — | US | claimed |
| JP-5213703-A | — | — | None | — | — | JP | disclosed |
| CN-105658743-B | Include the printing ink composition of the surfactant with limited solubility | 卡博特公司 | 2018-08-17 | — | — | CN | disclosed |
| EP-2753689-B1 | FUNCTIONALIZED CARBOXYLIC ACIDS AND ALCOHOLS BY REVERSE FATTY ACID OXIDATION | UNIV RICE WILLIAM M (US) | 2018-02-14 | — | — | EP | disclosed |
| US-5248694-A | Fungicides | RIKAGAKU KENKYUSHO (JP) | 1993-09-28 | — | — | US | disclosed |
| US-5248694-A | Fungicides | RIKAGAKU KENKYUSHO (JP) | 1993-09-28 | — | — | US | disclosed |
| JP-H05213703-A | PLANT BLIGHT CONTROLLING AGENT | RIKAGAKU KENKYUSHO | 1993-08-24 | — | — | JP | disclosed |