⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL911212 | 0.74 | — | — | |
| SCHEMBL703627 | 0.72 | — | — | |
| SCHEMBL1091205 | 0.72 | — | — | |
| SCHEMBL4366160 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL12829398 | 0.72 | — | — | |
| SCHEMBL7309616 | 0.72 | — | — | |
| SCHEMBL29037198 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL2957217 | 0.70 | — | — | |
| SCHEMBL4574667 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL31570720 | 0.69 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015463-B1 | METHOD FOR PRODUCING METALLOCENES | BASELL POLYOLEFINE GMBH (DE) | 2002-12-11 | — | — | EP | disclosed |
| EP-1015463-A1 | METHOD FOR PRODUCING METALLOCENES | Basell Polyolefine GmbH (DE) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999012943-A1 | METHOD FOR PRODUCING METALLOCENES | TARGOR GMBH (DE) | 1999-03-18 | — | — | WO | disclosed |