⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11169719 | 0.89 | — | — | |
| SCHEMBL8159671 | 0.62 | — | — | |
| SCHEMBL243433 | 0.61 | — | — | |
| SCHEMBL95256 | 0.58 | — | — | |
| SCHEMBL16628461 | 0.58 | ALDH1A1 (0.41) | — | |
| SCHEMBL4747698 | 0.58 | — | — | |
| SCHEMBL49811 | 0.58 | ALDH1A1 (0.55) | — | |
| SCHEMBL9642004 | 0.58 | ALDH1A1 (0.72) | — | |
| SCHEMBL21378 | 0.58 | ALDH1A1 (0.72) | — | |
| SCHEMBL247292 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0044418-B1 | PROCESS FOR THE PREPARATION OF IMIDAZOLIDINE TRIONES | BAYER AG (DE) | 1984-02-22 | — | — | EP | disclosed |
| US-4384122-A | Process for the production of imidazolidine triones | BAYER AKTIENGESELLSCHAFT (DE) | 1983-05-17 | — | — | US | disclosed |
| EP-0044418-A1 | Process for the preparation of imidazolidine triones | BAYER AG (DE) | 1982-01-27 | — | — | EP | disclosed |