⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL896110 | 0.72 | — | — | |
| SCHEMBL15223853 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL14995773 | 0.62 | TAAR1 (0.30) | — | |
| SCHEMBL4840616 | 0.62 | — | — | |
| SCHEMBL16750131 | 0.61 | PARP1 (0.33) | — | |
| SCHEMBL8724495 | 0.61 | — | — | |
| SCHEMBL278437 | 0.61 | — | — | |
| SCHEMBL7997873 | 0.59 | — | — | |
| Ammonia Solution, Strong SCHEMBL238233 | 0.57 | — | — | |
| SCHEMBL32173 | 0.55 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244517-A4 | POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND | EQUISTAR CHEM LP (US) | 2004-06-30 | — | — | EP | disclosed |
| EP-1165568-A4 | METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM | EQUISTAR CHEM LP (US) | 2002-10-16 | — | — | EP | disclosed |
| EP-1244517-A1 | POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND | Equistar Chemicals L.P. (US) | 2002-10-02 | — | — | EP | disclosed |
| US-6384229-B1 | SILICON, TIN, GERMANIUM, OR LEAD; PYRAZOLYL, TRIAZOLYL, OR TETRAAZOLYL RING LIGAND; CATALYSTS FOR OLEFIN POLYMERIZATION | EQUISTAR CHEMICALS, L.P. | 2002-05-07 | — | — | US | disclosed |
| EP-1165568-A1 | METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM | Equistar Chemicals L.P. (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2001023084-A1 | POLYMERIZATION SYSTEM WITH ORGANOSILICON COMPOUND | EQUISTAR CHEMICALS, L.P. (US) | 2001-04-05 | — | — | WO | disclosed |
| US-6180552-B1 | OLEFIN POLYMERIZATION COORDINATION CATALYSTS | EQUISTAR CHEMICALS, L.P. | 2001-01-30 | — | — | US | disclosed |
| WO-2000059914-A1 | METAL COMPOUNDS CONTAINING NEUTRAL, MULTIDENTATE AZACYCLIC LIGANDS, CATALYSTS USING THEM, OLEFIN POLYMERIZATION METHODS USING THEM | EQUISTAR CHEMICALS, L.P. (US) | 2000-10-12 | — | — | WO | disclosed |
| US-6093673-A | USING ORGANOSILICON COMPOUND FROM PYRAZOLYL FAMILY AS EXTERNAL ADJUVANT LEADS TO INCREASED CATALYST ACTIVITY WITHOUT SACRIFICE OF STEREOREGULARITY IN POLYMERIZATION OF ALPHA OLEFINS OF THREE CARBONS OR MORE | EQUISTAR CHEMICALS, LP (US) | 2000-07-25 | — | — | US | disclosed |