⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1254849 | 0.69 | — | — | |
| SCHEMBL477327 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL4742273 | 0.69 | — | — | |
| SCHEMBL19692947 | 0.67 | — | — | |
| SCHEMBL20558554 | 0.67 | — | — | |
| SCHEMBL19692684 | 0.67 | — | — | |
| SCHEMBL14857 | 0.65 | — | — | |
| SCHEMBL4742289 | 0.65 | — | — | |
| SCHEMBL28335862 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL10883847 | 0.63 | TSHR (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008113814-A1 | ORGANIC MOLYBDENUM COMPOUNDS, USE THEREOF AS FRICTION- MODIFIERS AND LUBRICATING COMPOSITIONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2008-09-25 | — | — | WO | disclosed |