⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL814746 | 0.91 | PIK3CD (0.31) | — | |
| Isobutane SCHEMBL3013742 | 0.88 | — | — | |
| SCHEMBL473650 | 0.84 | — | — | |
| Benzene SCHEMBL26106439 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL1169974 | 0.79 | — | — | |
| SCHEMBL1637470 | 0.77 | — | — | |
| SCHEMBL10442291 | 0.77 | — | — | |
| SCHEMBL13897141 | 0.75 | HSD17B10 (0.32) | — | |
| Cyclohexane SCHEMBL28853599 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL20733371 | 0.74 | — | — |
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-4978648-A | Alkyl-aluminum, diether, magnesium dichloride, titanium halide components; propylene polymerization | HIMONT INCORPORATED (US) | 1990-12-18 | — | — | US | disclosed |