⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2373761 | 0.72 | — | — | |
| SCHEMBL49310 | 0.72 | — | — | |
| SCHEMBL28377922 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL15007656 | 0.72 | — | — | |
| SCHEMBL4630343 | 0.69 | — | — | |
| SCHEMBL291839 | 0.69 | — | — | |
| SCHEMBL10796700 | 0.67 | — | — | |
| SCHEMBL1143468 | 0.67 | — | — | |
| SCHEMBL9724411 | 0.67 | — | — | |
| SCHEMBL12126813 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4469615-A | Water treating compositions | KOHRYU INDUSTRIAL CO. LTD. (JP) | 1984-09-04 | — | — | US | disclosed |
| US-4221921-A | HYDROGEN IODIDE CATALYST | CHEVRON RESEARCH COMPANY (US) | 1980-09-09 | — | — | US | disclosed |
| US-3935200-A | HERBICIDE | BASF AKTIENGESELLSCHAFT (DT) | 1976-01-27 | — | — | US | disclosed |