⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8368527 | 0.66 | — | — | |
| SCHEMBL3211680 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL113990 | 0.63 | TRPA1 (0.42) | — | |
| SCHEMBL10319782 | 0.61 | TRPA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3257994 | 0.59 | — | — | |
| SCHEMBL3192721 | 0.59 | NOS3 (0.35) | — | |
| SCHEMBL7052674 | 0.58 | CA2 (0.41) | — | |
| SCHEMBL3209830 | 0.58 | CA1 (0.38) | — | |
| SCHEMBL707216 | 0.54 | — | — | |
| SCHEMBL3482544 | 0.54 | RAB9A (0.39) | — |
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 |