⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7078613 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2582956 | 0.73 | HTR2C (0.35) | — | |
| Hydrochloric Acid SCHEMBL4507790 | 0.69 | — | — | |
| SCHEMBL6553665 | 0.69 | — | — | |
| SCHEMBL6522733 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL3192152 | 0.67 | — | — | |
| SCHEMBL8614491 | 0.67 | — | — | |
| SCHEMBL8024826 | 0.67 | — | — | |
| SCHEMBL7638683 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3192140 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1058694-B1 | Catalyst system, method for its production and its use for the polymerisation of olefins | BASELL POLYOLEFINE GMBH (DE) | 2003-04-09 | — | — | EP | claimed |
| US-20040048992-A1 | Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins | EQUISTAR CHEMICALS, LP | 2004-03-11 | — | — | US | disclosed |