⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10359794 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL385509 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL385508 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL386779 | 0.77 | — | — | |
| SCHEMBL386778 | 0.77 | — | — | |
| SCHEMBL10359796 | 0.73 | — | — | |
| SCHEMBL10359859 | 0.73 | — | — | |
| SCHEMBL386871 | 0.70 | — | — | |
| SCHEMBL386870 | 0.70 | — | — | |
| SCHEMBL7769064 | 0.69 | TSHR (0.45) | — |
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-0192242-B1 | SUBSTITUTED AMINOPHENYLUREA DERIVATIVES | TOKUYAMA SODA KABUSHIKI KAISHA (JP) | 1990-11-07 | — | — | EP | disclosed |
| US-4803223-A | ANTITUMOR AGENTS | TOKUYAMA SODA KABUSHIKI KAISHA (JP) | 1989-02-07 | — | — | US | disclosed |
| EP-0192242-A1 | Substituted aminophenylurea derivatives | TOKUYAMA SODA KABUSHIKI KAISHA (JP) | 1986-08-27 | — | — | EP | disclosed |