⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6207667 | 0.72 | — | — | |
| SCHEMBL7493840 | 0.69 | — | — | |
| SCHEMBL10950913 | 0.62 | — | — | |
| SCHEMBL9379580 | 0.62 | — | — | |
| SCHEMBL1788528 | 0.62 | — | — | |
| SCHEMBL17796262 | 0.62 | — | — | |
| SCHEMBL14881178 | 0.62 | — | — | |
| Iodide SCHEMBL4916833 | 0.61 | — | — | |
| SCHEMBL9215347 | 0.58 | — | — | |
| SCHEMBL1997110 | 0.58 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4788184-A | Substituted 3-cyclobutene-1,2-diones as anti-ulcer agents | BRISTOL-MYERS COMPANY (US) | 1988-11-29 | — | — | US | disclosed |
| US-4607105-A | FOR 1-(SUBSTITUTED AMINO)-2-(AMINO OR SUBSTITUTED) DERIVATIVES; HISTAMINE H2-ANTAGONISTS | BRISTOL-MYERS COMPANY (US) | 1986-08-19 | — | — | US | disclosed |
| US-4546188-A | USEFUL IN TREATMENT OF PEPTIC ULCERS | BRISTOL-MYERS COMPANY (US) | 1985-10-08 | — | — | US | disclosed |
| US-4539316-A | HISTAMINE H2-ANTAGONISTS, ANTIULCER AGENTS | BRISTOL-MYERS COMPANY (US) | 1985-09-03 | — | — | US | disclosed |
| US-4526973-A | Amino substituted, diketone group-containing cyclobutene derivative | BRISTOL-MYERS COMPANY (US) | 1985-07-02 | — | — | US | disclosed |
| US-4522943-A | ANTISECRETORY ANTIULCER AGENT | BRISTOL-MYERS COMPANY (US) | 1985-06-11 | — | — | US | disclosed |
| US-4503051-A | ANTIULCER, HISTAMINE H2-ANTAGONIST | BRISTOL-MYERS COMPANY (US) | 1985-03-05 | — | — | US | disclosed |
| EP-0099122-A2 | Compositions comprising pepstatin and an histamine H2-receptor antagonist having an enhanced antiulcer activity | Bristol-Myers Company (US) | 1984-01-25 | — | — | EP | disclosed |