⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10639252 | 1.00 | — | — | |
| SCHEMBL11704804 | 0.89 | — | — | |
| SCHEMBL11704813 | 0.89 | — | — | |
| SCHEMBL11552458 | 0.87 | SQLE (0.32) | — | |
| SCHEMBL11552456 | 0.87 | SQLE (0.32) | — | |
| SCHEMBL11550809 | 0.85 | — | — | |
| SCHEMBL11550812 | 0.85 | — | — | |
| SCHEMBL11549585 | 0.84 | PTPN1 (0.39) | — | |
| SCHEMBL11549588 | 0.84 | PTPN1 (0.39) | — | |
| SCHEMBL11736929 | 0.83 | LSS (0.35) | — |
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-0269230-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-06-01 | — | — | EP | disclosed |
| US-4137273-A | INSECTICIDES, CHEMICAL INTERMEDIATES | ZOECON CORPORATION (US) | 1979-01-30 | — | — | US | disclosed |
| US-4002647-A | INSECTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1977-01-11 | — | — | US | disclosed |