⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14714784 | 0.91 | ACACB (0.38) | — | |
| SCHEMBL14789220 | 0.88 | — | — | |
| SCHEMBL14789164 | 0.81 | — | — | |
| SCHEMBL14789212 | 0.81 | — | — | |
| SCHEMBL14714347 | 0.79 | — | — | |
| SCHEMBL14715165 | 0.79 | — | — | |
| SCHEMBL14714746 | 0.78 | — | — | |
| SCHEMBL14714535 | 0.76 | — | — | |
| SCHEMBL14789086 | 0.76 | — | — | |
| SCHEMBL14789211 | 0.76 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130072677-A1 | NOVEL HYDROXAMIC ACID DERIVATIVE | TOYAMA CHEMICAL CO., LTD. (JP) | 2013-03-21 | — | — | US | disclosed |