⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10041254 | 0.74 | — | — | |
| SCHEMBL14088271 | 0.74 | — | — | |
| SCHEMBL13648980 | 0.74 | — | — | |
| SCHEMBL15199746 | 0.70 | — | — | |
| SCHEMBL1230612 | 0.70 | — | — | |
| SCHEMBL16297558 | 0.70 | — | — | |
| SCHEMBL15281395 | 0.69 | — | — | |
| Water SCHEMBL11792345 | 0.67 | NOS1 (0.37) | — | |
| SCHEMBL851172 | 0.59 | — | — | |
| SCHEMBL269291 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0116452-B1 | IMPROVEMENTS IN OR RELATING TO THE SYNTHESIS OF NIZATIDINE | ELI LILLY AND COMPANY (US) | 1993-01-13 | — | — | EP | claimed |
| US-4587344-A | Isothiourea synthesis process | ELI LILLY AND COMPANY (US) | 1986-05-06 | — | — | US | claimed |
| EP-0116452-A2 | Improvements in or relating to the synthesis of nizatidine | ELI LILLY AND COMPANY (US) | 1984-08-22 | — | — | EP | claimed |
| EP-0116452-B1 | IMPROVEMENTS IN OR RELATING TO THE SYNTHESIS OF NIZATIDINE | ELI LILLY AND COMPANY (US) | 1993-01-13 | — | — | EP | disclosed |
| US-4587344-A | Isothiourea synthesis process | ELI LILLY AND COMPANY (US) | 1986-05-06 | — | — | US | disclosed |
| US-4587344-A | Isothiourea synthesis process | ELI LILLY AND COMPANY (US) | 1986-05-06 | — | — | US | disclosed |
| EP-0116452-A2 | Improvements in or relating to the synthesis of nizatidine | ELI LILLY AND COMPANY (US) | 1984-08-22 | — | — | EP | disclosed |