⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4591064 | 0.75 | — | — | |
| SCHEMBL4443315 | 0.73 | — | — | |
| SCHEMBL11614970 | 0.71 | — | — | |
| SCHEMBL3429894 | 0.71 | — | — | |
| SCHEMBL11830096 | 0.70 | — | — | |
| SCHEMBL3333765 | 0.68 | HSD17B10 (0.31) | — | |
| SCHEMBL8035040 | 0.67 | KMT2A (0.37) | — | |
| SCHEMBL503275 | 0.66 | — | — | |
| SCHEMBL27620116 | 0.66 | MAPT (0.32) | — | |
| SCHEMBL7248025 | 0.63 | NFKB1 (0.39) | — |
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-2125762-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME | Shell Internationale Research Maatschappij B.V. (NL) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008092945-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND LUBRICATING COMPOSITIONS COMPRISING SAID COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2008-08-07 | — | — | WO | 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 |