⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6571807 | 1.00 | — | — | |
| SCHEMBL6569382 | 0.93 | — | — | |
| SCHEMBL9220791 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL6571639 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL10589563 | 0.91 | TSHR (0.36) | — | |
| SCHEMBL3155768 | 0.84 | — | — | |
| SCHEMBL3155769 | 0.84 | — | — | |
| SCHEMBL16760879 | 0.79 | ADRB2 (0.39) | — | |
| SCHEMBL9588346 | 0.77 | — | — | |
| SCHEMBL13204986 | 0.77 | — | — |
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-0915853-B1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AG (DE) | 2002-11-06 | — | — | EP | disclosed |
| EP-1243584-A1 | CYANOMETHYLENE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE | OTSUKA CHEMICAL COMPANY, LIMITED (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-6197973-B1 | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |