⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26857889 | 1.00 | — | — | |
| SCHEMBL638858 | 1.00 | — | — | |
| SCHEMBL23015791 | 0.86 | CA2 (0.54) | — | |
| SCHEMBL9766489 | 0.84 | HDAC1 (0.60) | — | |
| SCHEMBL20440700 | 0.83 | HDAC7 (0.48) | — | |
| SCHEMBL8747904 | 0.82 | CA2 (0.52) | — | |
| SCHEMBL26857868 | 0.82 | — | — | |
| SCHEMBL31138110 | 0.82 | — | — | |
| SCHEMBL5934981 | 0.82 | HDAC1 (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL27769629 | 0.81 | HDAC1 (0.57) | — |
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-2336105-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-02-12 | — | — | EP | disclosed |