⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19375457 | 0.79 | — | — | |
| SCHEMBL4274613 | 0.70 | GABRP (0.31) | — | |
| SCHEMBL19993125 | 0.70 | — | — | |
| SCHEMBL4434131 | 0.69 | — | — | |
| SCHEMBL9302367 | 0.68 | — | — | |
| SCHEMBL10049337 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL11599441 | 0.67 | — | — | |
| SCHEMBL8228352 | 0.67 | — | — | |
| SCHEMBL21728033 | 0.67 | — | — | |
| SCHEMBL17299115 | 0.67 | — | — |
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 |