⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13406321 | 0.74 | PLK1 (0.30) | — | |
| SCHEMBL12942009 | 0.69 | — | — | |
| SCHEMBL28952695 | 0.67 | — | — | |
| SCHEMBL9965491 | 0.59 | LMNA (0.31) | — | |
| SCHEMBL9637770 | 0.55 | KDM4E (0.30) | — | |
| SCHEMBL27556575 | 0.49 | — | — | |
| SCHEMBL7503772 | 0.47 | — | — | |
| SCHEMBL8097320 | 0.47 | — | — | |
| SCHEMBL4959591 | 0.44 | — | — | |
| SCHEMBL3420496 | 0.43 | MAPT (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 7 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 |
| EP-0099121-A2 | Pharmaceutical compositions | Bristol-Myers Company (US) | 1984-01-25 | — | — | EP | 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 |