⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28059427 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL28777786 | 0.74 | — | — | |
| SCHEMBL4786934 | 0.72 | TAS2R38 (0.36) | — | |
| SCHEMBL28740940 | 0.69 | — | — | |
| SCHEMBL19519168 | 0.68 | — | — | |
| SCHEMBL25634794 | 0.67 | — | — | |
| SCHEMBL5838429 | 0.67 | — | — | |
| SCHEMBL6281017 | 0.67 | — | — | |
| SCHEMBL9418203 | 0.67 | — | — | |
| SCHEMBL29822695 | 0.65 | — | — |
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-2008092945-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND LUBRICATING COMPOSITIONS COMPRISING SAID COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2008-08-07 | — | — | WO | disclosed |