⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5430402 | 0.79 | CYP3A4 (0.33) | — | |
| SCHEMBL5678462 | 0.77 | CES2 (0.32) | — | |
| SCHEMBL5430404 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL4314878 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL9289689 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL1727111 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL1726917 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL27503646 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL20145107 | 0.71 | THRB (0.44) | — | |
| SCHEMBL11374678 | 0.71 | THRB (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1618173-A1 | LUBRICANT COMPOSITIONS | Great Lakes Chemical (Europe) GmbH (CH) | 2006-01-25 | — | — | EP | claimed |
| WO-2004096959-A1 | LUBRICANT COMPOSITIONS | GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) | 2004-11-11 | — | — | WO | claimed |
| EP-1618173-A1 | LUBRICANT COMPOSITIONS | Great Lakes Chemical (Europe) GmbH (CH) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004096959-A1 | LUBRICANT COMPOSITIONS | GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) | 2004-11-11 | — | — | WO | disclosed |