⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7184978 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL616749 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL8082447 | 0.89 | ALOX5 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6628680 | 0.89 | ALOX5 (0.33) | — | |
| SCHEMBL616015 | 0.87 | CA2 (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5685000 | 0.82 | KCNH2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL4980454 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4974095 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6278391 | 0.76 | — | — | |
| SCHEMBL15533730 | 0.76 | BCHE (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4523002-B2 | — | — | 2010-08-11 | — | — | JP | claimed |
| EP-1633790-A4 | POLYMERIZATION PROCESS USING A METALLOCENE CATALYST SYSTEM | UNIVATION TECH LLC (US) | 2007-07-18 | — | — | EP | claimed |
| EP-1633790-A1 | POLYMERIZATION PROCESS USING A METALLOCENE CATALYST SYSTEM | Univation Technologies LLC (US) | 2006-03-15 | — | — | EP | claimed |
| WO-2005005488-A1 | POLYMERIZATION PROCESS USING A METALLOCENE CATALYST SYSTEM | UNIVATION TECHNOLOGIES, LLC (US) | 2005-01-20 | — | — | WO | claimed |
| EP-1633790-A4 | POLYMERIZATION PROCESS USING A METALLOCENE CATALYST SYSTEM | UNIVATION TECH LLC (US) | 2007-07-18 | — | — | EP | disclosed |
| EP-1633790-A1 | POLYMERIZATION PROCESS USING A METALLOCENE CATALYST SYSTEM | Univation Technologies LLC (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2005005488-A1 | POLYMERIZATION PROCESS USING A METALLOCENE CATALYST SYSTEM | UNIVATION TECHNOLOGIES, LLC (US) | 2005-01-20 | — | — | WO | disclosed |