⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11078493 | 0.80 | CES2 (0.58) | — | |
| SCHEMBL13068993 | 0.77 | CES2 (0.50) | — | |
| SCHEMBL3059543 | 0.76 | — | — | |
| SCHEMBL6006624 | 0.76 | — | — | |
| SCHEMBL1650571 | 0.76 | — | — | |
| SCHEMBL14769643 | 0.76 | — | — | |
| SCHEMBL247847 | 0.76 | — | — | |
| SCHEMBL64613 | 0.76 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL857460 | 0.74 | CES2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL29535473 | 0.74 | CES2 (0.52) | — |
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-20090203948-A1 | Single site catalyst component with metal containing chelate backbone | GLADYSZ JOHN | 2009-08-13 | — | — | US | disclosed |
| EP-1807202-A1 | NEW SINGLE SITE CATALYST COMPONENT WITH METAL CONTAINING CHELATE BACKBONE | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006045735-A1 | NEW SINGLE SITE CATALYST COMPONENT WITH METAL CONTAINING CHELATE BACKBONE | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2006-05-04 | — | — | WO | disclosed |
| EP-1649930-A1 | New single catalyst component with metal containing chelate backbone | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2006-04-26 | — | — | EP | disclosed |