⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2800905 | 0.89 | — | — | |
| SCHEMBL23501784 | 0.87 | — | — | |
| SCHEMBL59875 | 0.87 | — | — | |
| SCHEMBL1664682 | 0.75 | — | — | |
| SCHEMBL10340104 | 0.75 | — | — | |
| SCHEMBL6418394 | 0.75 | — | — | |
| SCHEMBL200858 | 0.75 | — | — | |
| SCHEMBL200606 | 0.75 | — | — | |
| SCHEMBL9658534 | 0.75 | — | — | |
| SCHEMBL25339144 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112774697-B | Monoatomic metal-molybdenum sulfide nano-composite and preparation method and application thereof | 南京大学 | 2022-09-23 | — | — | CN | disclosed |
| US-4006107-A | Method of producing ternary lead molybdenum sulfides | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) | 1977-02-01 | — | — | US | disclosed |
| US-4006107-A | Method of producing ternary lead molybdenum sulfides | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) | 1977-02-01 | — | — | US | disclosed |