⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16638668 | 1.00 | — | — | |
| SCHEMBL16069849 | 0.81 | METAP1 (0.36) | — | |
| SCHEMBL17424578 | 0.81 | METAP1 (0.36) | — | |
| SCHEMBL6268608 | 0.78 | — | — | |
| SCHEMBL15141638 | 0.75 | — | — | |
| SCHEMBL11423545 | 0.75 | — | — | |
| SCHEMBL20836758 | 0.75 | — | — | |
| SCHEMBL12214929 | 0.75 | — | — | |
| SCHEMBL15142570 | 0.75 | — | — | |
| SCHEMBL1442501 | 0.75 | — | — |
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-2336105-B9 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-09-17 | — | — | EP | disclosed |
| EP-2336105-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL (JP) | 2014-02-12 | — | — | EP | disclosed |