⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18529402 | 0.65 | HSD11B1 (0.35) | — | |
| SCHEMBL16189392 | 0.62 | — | — | |
| SCHEMBL18529420 | 0.61 | HSD11B1 (0.41) | — | |
| SCHEMBL433960 | 0.42 | — | — | |
| Ethylamine SCHEMBL854887 | 0.41 | — | — | |
| Ethylamine SCHEMBL1793 | 0.41 | — | — | |
| Ethylamine SCHEMBL1331327 | 0.41 | — | — | |
| Ethylamine SCHEMBL1331914 | 0.38 | — | — | |
| Ethylamine SCHEMBL1048625 | 0.38 | — | — | |
| Ethylamine SCHEMBL670403 | 0.38 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3334810-A1 | ADDITIVE FOR LUBRICANT COMPOSITIONS COMPRISING A SULFUR-CONTAINING AND A SULFUR-FREE ORGANOMOLYBDENUM COMPOUND, AND A TRIAZOLE | Vanderbilt Chemicals, LLC (US) | 2018-06-20 | — | — | EP | disclosed |
| WO-2017030782-A1 | ADDITIVE FOR LUBRICANT COMPOSITIONS COMPRISING A SULFUR-CONTAINING AND A SULFUR-FREE ORGANOMOLYBDENUM COMPOUND, AND A TRIAZOLE | VANDERBILT CHEMICALS, LLC (US) | 2017-02-23 | — | — | WO | disclosed |