⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10101873 | 0.81 | — | — | |
| SCHEMBL23914151 | 0.80 | — | — | |
| SCHEMBL11218808 | 0.73 | — | — | |
| SCHEMBL21283127 | 0.73 | — | — | |
| SCHEMBL18535486 | 0.73 | — | — | |
| SCHEMBL899170 | 0.73 | — | — | |
| SCHEMBL22897476 | 0.71 | — | — | |
| SCHEMBL28681079 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL10522126 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL9060403 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3653298-A1 | CATIONIC TRANSITION METAL COMPLEX AND ORGANIC METAL CATALYST HAVING BORATE BULKY ANION, AND PREPARATION METHOD THEREFOR, AND METHOD FOR PREPARATION OF OLIGOMER USING SAME | LG CHEM, LTD. (KR) | 2020-05-20 | — | — | EP | disclosed |