⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9536476 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL4594435 | 0.62 | — | — | |
| SCHEMBL2186804 | 0.60 | — | — | |
| SCHEMBL16018997 | 0.59 | OPRL1 (0.34) | — | |
| SCHEMBL159386 | 0.58 | CDK5 (0.33) | — | |
| SCHEMBL558013 | 0.58 | — | — | |
| SCHEMBL9536900 | 0.58 | — | — | |
| SCHEMBL4148663 | 0.57 | CDK5 (0.32) | — | |
| SCHEMBL9538349 | 0.56 | — | — | |
| SCHEMBL207389 | 0.56 | — | — |
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-0337944-B1 | UREAS | CIBA-GEIGY AG (CH) | 1993-07-28 | — | — | EP | disclosed |
| US-4973690-A | PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS | CIBA-GEIGY CORPORATION (US) | 1990-11-27 | — | — | US | disclosed |
| EP-0337944-A1 | Ureas | CIBA-GEIGY AG (CH) | 1989-10-18 | — | — | EP | disclosed |