⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7055187 | 0.77 | CHRNB2 (0.33) | — | |
| SCHEMBL30733637 | 0.71 | TACR1 (0.35) | — | |
| SCHEMBL5477612 | 0.70 | KDM1A (0.44) | — | |
| Hydrochloric Acid SCHEMBL7570749 | 0.70 | — | — | |
| SCHEMBL21213977 | 0.69 | KDM1A (0.40) | — | |
| SCHEMBL7054004 | 0.69 | — | — | |
| SCHEMBL6673270 | 0.69 | GAA (0.35) | — | |
| SCHEMBL7034020 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL3213803 | 0.66 | TSHR (0.42) | — | |
| SCHEMBL27475455 | 0.66 | BRD4 (0.36) | — |
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-0985674-B1 | ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS | MITSUBISHI CHEM CORP (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-6255515-B1 | COORDINATION POLYMERIZATION CATALYSTS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-0985674-A1 | ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2000-03-15 | — | — | EP | disclosed |