⚠ 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 SCHEMBL6899097 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL3258367 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL5615539 | 0.56 | — | — | |
| Chloromethane SCHEMBL6357605 | 0.54 | CTSD (0.32) | — | |
| Tert-Butanol SCHEMBL8667427 | 0.52 | — | — | |
| SCHEMBL2353726 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL3667602 | 0.50 | CTSD (0.33) | — | |
| Hydrochloric Acid SCHEMBL138585 | 0.50 | CTSD (0.33) | — | |
| Iodide SCHEMBL27933185 | 0.50 | CTSD (0.33) | — | |
| Fluoride SCHEMBL27933141 | 0.50 | CTSD (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730756-B1 | HETEROGENEOUS TRANSITION METAL CATALYST WITH METALLOCENE IMPREGNATED | BOREALIS A/S (DK) | 2004-05-04 | — | — | US | disclosed |
| CN-1337971-A | Catalyst and process for olefin polymerization | BOREALIS AS (DK) | 2002-02-27 | — | — | CN | disclosed |
| EP-1137677-A2 | CATALYST AND PROCESS FOR OLEFIN POLYMERIZATION | BOREALIS A/S (DK) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034341-A2 | CATALYST AND PROCESS FOR OLEFIN POLYMERIZATION | BOREALIS A/S (DK) | 2000-06-15 | — | — | WO | disclosed |