⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14100052 | 0.68 | — | — | |
| SCHEMBL8192481 | 0.68 | PGK1 (0.33) | — | |
| SCHEMBL8143101 | 0.61 | — | — | |
| SCHEMBL15431588 | 0.61 | — | — | |
| SCHEMBL11381311 | 0.56 | — | — | |
| SCHEMBL4584754 | 0.49 | — | — | |
| SCHEMBL3265453 | 0.44 | — | — | |
| SCHEMBL13523738 | 0.39 | — | — | |
| SCHEMBL24459 | 0.39 | — | — | |
| Radium SCHEMBL4342429 | 0.37 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4510309-A | ANTISECRETORY AND ANTIULCER AGENTS | BRISTOL-MYERS COMPANY (US) | 1985-04-09 | — | — | US | disclosed |
| US-4471122-A | Thiadiazole histamine H2 -antagonists | BRISTOL-MYERS COMPANY (US) | 1984-09-11 | — | — | US | disclosed |
| US-4394508-A | ANTIULCER AND ANTISECRETORY AGENTS; HISTAMINE ANTAGONIST | BRISTOL-MYERS COMPANY (US) | 1983-07-19 | — | — | US | disclosed |
| US-4380639-A | ANTIULCER AND ANTISECRETORY AGENTS | BRISTOL-MYERS COMPANY (US) | 1983-04-19 | — | — | US | disclosed |
| US-4380638-A | ANTIULCER AND ANTISECRETORY AGENTS; DERIVATIVES OF 3-AMINO-4-HET-A | BRISTOL-MYERS COMPANY (US) | 1983-04-19 | — | — | US | disclosed |
| US-4374248-A | ANTIHISTAMINES, ANTIULCER | BRISTOL-MYERS COMPANY (US) | 1983-02-15 | — | — | US | disclosed |