⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3338215 | 0.85 | CA12 (0.35) | — | |
| SCHEMBL4444041 | 0.77 | — | — | |
| SCHEMBL3062828 | 0.72 | FAAH (0.38) | — | |
| SCHEMBL3337245 | 0.70 | — | — | |
| SCHEMBL3331870 | 0.64 | RAB9A (0.33) | — | |
| SCHEMBL3332445 | 0.60 | — | — | |
| SCHEMBL3173265 | 0.59 | — | — | |
| SCHEMBL22229901 | 0.59 | CA12 (0.41) | — | |
| SCHEMBL3071044 | 0.56 | FAAH (0.39) | — | |
| SCHEMBL31283176 | 0.55 | ALDH1A1 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125762-B1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | SHELL INT RESEARCH (NL) | 2013-12-11 | — | — | EP | disclosed |
| 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 |