⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10704809 | 0.82 | ALDH1A1 (0.32) | — | |
| Ethylene SCHEMBL7892170 | 0.77 | — | — | |
| SCHEMBL3686941 | 0.76 | — | — | |
| SCHEMBL575096 | 0.76 | — | — | |
| SCHEMBL577556 | 0.75 | — | — | |
| SCHEMBL5933630 | 0.74 | — | — | |
| Bicarbonate SCHEMBL29243299 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL4444635 | 0.72 | — | — | |
| Methane SCHEMBL17726148 | 0.72 | ALDH1A1 (0.30) | — | |
| Charcoal, Activated SCHEMBL8437007 | 0.72 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9751878-B2 | Tetrahydronaphthyridine somatostatin receptor 5 antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-09-05 | — | — | US | disclosed |