⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7632634 | 0.77 | — | — | |
| SCHEMBL6907559 | 0.73 | GPR3 (0.33) | — | |
| SCHEMBL6907806 | 0.73 | GAA (0.31) | — | |
| SCHEMBL6911222 | 0.72 | PTPN1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6861885 | 0.71 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6858902 | 0.71 | GAA (0.30) | — | |
| Hydrochloric Acid SCHEMBL6861887 | 0.71 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7186892 | 0.71 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6851892 | 0.71 | GAA (0.30) | — | |
| Hydrochloric Acid SCHEMBL6851880 | 0.71 | GAA (0.30) | — |
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-0923589-B1 | 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS | DOW GLOBAL TECHNOLOGIES INC (US) | 2004-09-15 | — | — | EP | disclosed |
| US-6268444-B1 | TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION | DOW CHEMICAL COMPANY | 2001-07-31 | — | — | US | disclosed |