⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27663 | 0.97 | — | — | |
| SCHEMBL1228640 | 0.97 | ALDH1A1 (0.48) | — | |
| SCHEMBL28064222 | 0.94 | — | — | |
| SCHEMBL32684120 | 0.94 | — | — | |
| Oxalic Acid SCHEMBL29215671 | 0.89 | ALDH1A1 (0.42) | — | |
| Monoethanolamine SCHEMBL6872043 | 0.89 | ALDH1A1 (0.42) | — | |
| Glycerin SCHEMBL19206969 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL30816421 | 0.81 | ALDH1A1 (0.36) | — | |
| Acrylic Acid SCHEMBL28515781 | 0.81 | LMNA (0.43) | — | |
| SCHEMBL175234 | 0.81 | TDP1 (0.46) | — |
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-6120806-A | Oral formulations for controlled release of alcohol deterrents | WHITMIRE DAVID R (US) | 2000-09-19 | — | — | US | disclosed |
| WO-1998058642-A1 | ORAL FORMULATIONS FOR CONTROLLED RELEASE OF ALCOHOL DETERRENTS | WHITMIRE DAVID R (US) | 1998-12-30 | — | — | WO | disclosed |
| US-4940816-A | Acylated cyanamide compounds | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1990-07-10 | — | — | US | disclosed |
| EP-0253882-A4 | ACYLATED CYANAMIDE COMPOSITION. | UNIV MINNESOTA (US) | 1990-06-27 | — | — | EP | disclosed |
| US-4870056-A | DETERRENTS OF ALCOHOL ABUSE | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1989-09-26 | — | — | US | disclosed |
| US-4726941-A | Acylated cyanamide composition for treating ethanol ingestion | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1988-02-23 | — | — | US | disclosed |
| EP-0253882-A1 | ACYLATED CYANAMIDE COMPOSITION | THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1988-01-27 | — | — | EP | disclosed |
| WO-1987004348-A1 | ACYLATED CYANAMIDE COMPOSITION | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1987-07-30 | — | — | WO | disclosed |