⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16305564 | 1.00 | — | — | |
| SCHEMBL349627 | 1.00 | — | — | |
| SCHEMBL17258228 | 1.00 | — | — | |
| SCHEMBL6587698 | 1.00 | — | — | |
| SCHEMBL99620 | 0.97 | — | — | |
| SCHEMBL1426230 | 0.90 | — | — | |
| SCHEMBL15101005 | 0.88 | — | — | |
| SCHEMBL15984720 | 0.84 | — | — | |
| SCHEMBL12424049 | 0.83 | EPHX1 (0.31) | — | |
| SCHEMBL169778 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9353108-B2 | Tetrahydronaphthyridine somatostatin receptor 5 antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-05-31 | — | — | US | disclosed |
| US-20150099777-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-04-09 | — | — | US | disclosed |