⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3334641 | 0.88 | — | — | |
| SCHEMBL3333334 | 0.87 | — | — | |
| SCHEMBL3333012 | 0.86 | — | — | |
| SCHEMBL3337268 | 0.79 | — | — | |
| SCHEMBL3332444 | 0.77 | — | — | |
| SCHEMBL3333587 | 0.77 | — | — | |
| SCHEMBL3339381 | 0.74 | CA12 (0.37) | — | |
| SCHEMBL3335659 | 0.71 | CA12 (0.34) | — | |
| SCHEMBL3334521 | 0.70 | CA12 (0.32) | — | |
| SCHEMBL3333619 | 0.70 | CA12 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188017-B2 | Organic molybdenum compounds and oil compositions containing the same | SHELL OIL COMPANY (US) | 2012-05-29 | — | — | US | disclosed |
| US-20100144568-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | SHELL OIL COMPANY | 2010-06-10 | — | — | US | disclosed |
| EP-2125762-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | Shell Internationale Research Maatschappij B.V. (NL) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008092944-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2008-08-07 | — | — | WO | disclosed |