⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7695021 | 0.64 | — | — | |
| Acetic Acid SCHEMBL657014 | 0.58 | HSD17B10 (0.32) | — | |
| Acetic Acid SCHEMBL6319258 | 0.57 | PTGS1 (0.31) | — | |
| SCHEMBL7157137 | 0.56 | ALDH1A1 (0.34) | — | |
| SCHEMBL1080529 | 0.55 | — | — | |
| SCHEMBL11443331 | 0.54 | CYP3A4 (0.31) | — | |
| SCHEMBL8079712 | 0.52 | NOS3 (0.33) | — | |
| SCHEMBL402358 | 0.50 | — | — | |
| SCHEMBL3033826 | 0.50 | CYP3A4 (0.31) | — | |
| SCHEMBL3186176 | 0.50 | CYP3A4 (0.35) | — |
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-1082363-A1 | ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE | Basell Polyolefine GmbH (DE) | 2001-03-14 | — | — | EP | disclosed |
| WO-2000044799-A1 | ORGANOMETAL COMPOUND, CATALYST SYSTEM CONTAINING SAID ORGANOMETAL COMPOUND AND ITS USE | TARGOR GMBH (DE) | 2000-08-03 | — | — | WO | disclosed |