⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3716678 | 0.86 | — | — | |
| SCHEMBL1908312 | 0.86 | — | — | |
| SCHEMBL2106550 | 0.78 | — | — | |
| SCHEMBL26922977 | 0.74 | — | — | |
| SCHEMBL8520623 | 0.74 | — | — | |
| SCHEMBL9206724 | 0.74 | — | — | |
| SCHEMBL1067691 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL11499835 | 0.72 | — | — | |
| SCHEMBL3259081 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL11219707 | 0.69 | MAPT (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6207830-B1 | REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE | SYNGENTA CROP PROTECTION, INC. | 2001-03-27 | — | — | US | claimed |
| EP-0831091-A2 | Process for the production of 3-aryl-uracils | Novartis AG (CH) | 1998-03-25 | — | — | EP | claimed |
| US-6207830-B1 | REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE | SYNGENTA CROP PROTECTION, INC. | 2001-03-27 | — | — | US | disclosed |
| EP-0831091-A2 | Process for the production of 3-aryl-uracils | Novartis AG (CH) | 1998-03-25 | — | — | EP | disclosed |