⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL447933 | 0.69 | — | — | |
| SCHEMBL6883242 | 0.64 | — | — | |
| SCHEMBL13259670 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL20955836 | 0.60 | — | — | |
| SCHEMBL7629261 | 0.60 | — | — | |
| SCHEMBL17419369 | 0.59 | — | — | |
| SCHEMBL2843480 | 0.59 | — | — | |
| SCHEMBL793812 | 0.59 | — | — | |
| SCHEMBL15301 | 0.59 | — | — | |
| SCHEMBL2000099 | 0.59 | — | — |
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-0984989-A1 | METALLOCENE CATALYST COMPONENT FOR USE IN PRODUCING ISOTACTIC POLYOLEFINS | FINA RESEARCH S.A. (BE) | 2000-03-15 | — | — | EP | claimed |
| WO-1998054230-A1 | METALLOCENE CATALYST COMPONENT FOR USE IN PRODUCING ISOTACTIC POLYOLEFINS | FINA RESEARCH S.A. (BE) | 1998-12-03 | — | — | WO | claimed |