⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14714736 | 1.00 | — | — | |
| SCHEMBL14714739 | 1.00 | — | — | |
| SCHEMBL14714773 | 1.00 | — | — | |
| SCHEMBL14714771 | 1.00 | — | — | |
| SCHEMBL14724592 | 0.91 | ALDH1A1 (0.34) | — | |
| SCHEMBL14714537 | 0.91 | — | — | |
| SCHEMBL14724545 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL14789088 | 0.87 | ALDH1A1 (0.43) | — | |
| SCHEMBL14714524 | 0.84 | — | — | |
| SCHEMBL14714523 | 0.84 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2562155-B1 | HYDROXAMIC ACID DERIVATIVE | TAISHO PHARMACEUTICAL CO LTD (JP) | 2019-06-05 | — | — | EP | disclosed |