⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7604239 | 0.87 | GABRA1 (0.31) | — | |
| SCHEMBL6532965 | 0.85 | — | — | |
| SCHEMBL27599222 | 0.83 | GABRA1 (0.33) | — | |
| SCHEMBL7643031 | 0.79 | GABRA1 (0.33) | — | |
| SCHEMBL2111099 | 0.79 | GABRA1 (0.33) | — | |
| SCHEMBL7636419 | 0.79 | GABRA1 (0.36) | — | |
| Propane SCHEMBL8628909 | 0.78 | — | — | |
| Ethane SCHEMBL8629727 | 0.78 | GABRA1 (0.30) | — | |
| SCHEMBL7602986 | 0.78 | GABRA1 (0.30) | — | |
| Hexane SCHEMBL8605093 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6177526-B1 | METALLOCENE; COCATALYST; MODIFIED OXIDE CONTAINS ORGANIC SILICON RADICALS CONTAINING AT LEAST ONE OF THE GROUPS NITROGEN, FLUORINE, PHOSPHORUS OR SULFUR. | TARGOR GMBH (DE) | 2001-01-23 | — | — | US | disclosed |