⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11727191 | 0.97 | — | — | |
| SCHEMBL15131323 | 0.73 | CYP1A2 (0.47) | — | |
| SCHEMBL10654869 | 0.72 | — | — | |
| SCHEMBL620842 | 0.72 | — | — | |
| Iodide SCHEMBL3998948 | 0.70 | — | — | |
| SCHEMBL28904204 | 0.69 | — | — | |
| SCHEMBL12417487 | 0.69 | — | — | |
| SCHEMBL21097017 | 0.69 | — | — | |
| Bromide SCHEMBL11726380 | 0.69 | CTSD (0.40) | — | |
| Iodide SCHEMBL4690067 | 0.68 | — | — |
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-5612332-A | INHIBITING PROTEIN GLYCOSYLATION | ALTEON INC. (US) | 1997-03-18 | — | — | US | disclosed |
| WO-1996040663-A1 | DI- AND TRI-AMINOGUANIDINES AND THEIR USE TO INHIBIT THE ADVANCED GLYCOSYLATION OF PROTEINS | ALTEON INC. (US) | 1996-12-19 | — | — | WO | disclosed |
| US-4980479-A | Reacting an acyc cyanide with carboxylic acid anhydride | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-25 | — | — | US | disclosed |
| US-4594427-A | Preparation of novel 5-acyloxy-4-(5H)-oxazolonium salts suited for use as intermediates for triazinone herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1986-06-10 | — | — | US | disclosed |
| EP-0063349-B1 | 5-ACYLOXY-4(5H)-OXAZOLONIUM SALTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INTERMEDIATES IN THE SYNTHESIS OF HERBICIDAL TRIAZINONES | BAYER AG (DE) | 1984-10-03 | — | — | EP | disclosed |
| EP-0063349-A1 | 5-Acyloxy-4(5H)-oxazolonium salts, process for their preparation and their use as intermediates in the synthesis of herbicidal triazinones | BAYER AG (DE) | 1982-10-27 | — | — | EP | disclosed |