⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42695 | 0.97 | — | — | |
| Water SCHEMBL8723991 | 0.94 | — | — | |
| SCHEMBL106749 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5038099 | 0.94 | — | — | |
| Water SCHEMBL8723987 | 0.94 | HDAC3 (0.57) | — | |
| SCHEMBL5829953 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5883931 | 0.92 | HDAC3 (0.55) | — | |
| Methylamine SCHEMBL3638546 | 0.92 | — | — | |
| SCHEMBL28297841 | 0.87 | HDAC3 (0.50) | — | |
| Formic Acid SCHEMBL28494572 | 0.87 | HDAC3 (0.50) | — |
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-6872843-B2 | Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2005-03-29 | — | — | US | disclosed |
| US-20040023940-A1 | Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins | EQUISTAR CHEMICALS, LP | 2004-02-05 | — | — | US | disclosed |