⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3768347 | 0.79 | — | — | |
| SCHEMBL3768349 | 0.78 | — | — | |
| SCHEMBL3768337 | 0.77 | — | — | |
| SCHEMBL3763925 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL10053647 | 0.77 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3770222 | 0.74 | — | — | |
| SCHEMBL27494089 | 0.73 | PDCD1 (0.34) | — | |
| SCHEMBL8468224 | 0.72 | PDCD1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3766626 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27539311 | 0.70 | — | — |
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-2220101-B1 | TRANSITION METAL COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2018-09-19 | — | — | EP | disclosed |
| EP-2220101-A1 | PROCESS FOR PREPARING TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION | Basell Polyolefine GmbH (DE) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009077115-A1 | PROCESS FOR PREPARING TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION | BASELL POLYOLEFINE GMBH (DE) | 2009-06-25 | — | — | WO | disclosed |