⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6065685 | 0.87 | HSD17B10 (0.32) | — | |
| SCHEMBL6065499 | 0.86 | HSD17B10 (0.34) | — | |
| Hydrogen Sulfide SCHEMBL31327516 | 0.84 | HSD17B10 (0.33) | — | |
| SCHEMBL4659638 | 0.80 | HSD17B10 (0.36) | — | |
| SCHEMBL4660870 | 0.80 | HSD17B10 (0.36) | — | |
| SCHEMBL6064851 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL4662325 | 0.77 | HSD17B10 (0.34) | — | |
| SCHEMBL182607 | 0.76 | HSD17B10 (0.40) | — | |
| SCHEMBL4951694 | 0.76 | HSD17B10 (0.35) | — | |
| SCHEMBL3763099 | 0.73 | HSD17B10 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7101940-B2 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2006-09-05 | — | — | US | disclosed |
| US-20030013913-A1 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-01-16 | — | — | US | disclosed |