⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14990888 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL1130699 | 0.75 | TSHR (0.43) | — | |
| SCHEMBL8055213 | 0.74 | — | — | |
| SCHEMBL27772752 | 0.74 | — | — | |
| SCHEMBL6639650 | 0.74 | — | — | |
| SCHEMBL203645 | 0.72 | — | — | |
| SCHEMBL8096920 | 0.72 | — | — | |
| SCHEMBL14783931 | 0.72 | — | — | |
| SCHEMBL1293040 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL11261469 | 0.70 | TSHR (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6475955-B2 | HERBICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-11-05 | — | — | US | disclosed |
| US-20020026048-A1 | Pyridazinone derivatives | SUMITOMO CHEMICAL CO. LTD. | 2002-02-28 | — | — | US | disclosed |
| US-6187920-B1 | HERBICIDES | SUMITOMO CHEMICAL CO., LTD. (JP) | 2001-02-13 | — | — | US | disclosed |
| WO-2000021936-A1 | URACIL HERBICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-04-20 | — | — | WO | disclosed |
| US-6011007-A | ZN2+ COMPLEX. | NOVO NORDISK A/S (DK) | 2000-01-04 | — | — | US | disclosed |
| EP-0947509-A2 | Pyridazinone derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-10-06 | — | — | EP | disclosed |