⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2201261 | 0.82 | CES2 (0.62) | — | |
| SCHEMBL896787 | 0.82 | CES2 (0.62) | — | |
| SCHEMBL6690863 | 0.80 | — | — | |
| SCHEMBL7897291 | 0.80 | — | — | |
| SCHEMBL13381577 | 0.78 | KMT2A (0.75) | — | |
| SCHEMBL30698159 | 0.78 | KMT2A (0.69) | — | |
| SCHEMBL18639288 | 0.78 | — | — | |
| SCHEMBL8931340 | 0.78 | — | — | |
| SCHEMBL363937 | 0.78 | — | — | |
| SCHEMBL27934309 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3042894-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2016-07-13 | — | — | EP | disclosed |
| CN-1087091-A | The composition and the using method of amino furfural | UNIV NEW YORK (US) | 1994-05-25 | — | — | CN | disclosed |