⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6065593 | 0.98 | — | — | |
| SCHEMBL6065599 | 0.86 | — | — | |
| SCHEMBL5703456 | 0.86 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6065201 | 0.79 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL6065218 | 0.78 | — | — | |
| SCHEMBL6064997 | 0.77 | — | — | |
| SCHEMBL6065774 | 0.76 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL6065100 | 0.74 | — | — | |
| SCHEMBL6065525 | 0.73 | — | — | |
| SCHEMBL6064834 | 0.73 | SMN1; SMN2 (0.31) | — |
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 |