⚠ 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 SCHEMBL6520221 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6517265 | 0.83 | SYK (0.31) | — | |
| Hydrochloric Acid SCHEMBL6523745 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6516663 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL6515082 | 0.81 | BRD4 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6520199 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL2523909 | 0.80 | KIF11 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6513717 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6522498 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6523542 | 0.77 | — | — |
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-1334107-B1 | NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2006-07-26 | — | — | EP | 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 |