⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27304177 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL9500951 | 0.75 | — | — | |
| SCHEMBL9500957 | 0.75 | — | — | |
| SCHEMBL171884 | 0.74 | — | — | |
| SCHEMBL20748474 | 0.68 | — | — | |
| SCHEMBL27316960 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL20748587 | 0.66 | — | — | |
| SCHEMBL27264328 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL12317207 | 0.65 | — | — | |
| SCHEMBL21998700 | 0.65 | — | — |
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-2927214-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |