⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31268404 | 0.74 | — | — | |
| SCHEMBL268204 | 0.65 | — | — | |
| SCHEMBL9998985 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL28650740 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL856466 | 0.61 | — | — | |
| Fluoride SCHEMBL11070678 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL931074 | 0.61 | — | — | |
| SCHEMBL28910250 | 0.59 | — | — | |
| Dimethylamine SCHEMBL10762382 | 0.59 | — | — | |
| SCHEMBL10836077 | 0.58 | ALDH1A1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1857471-B1 | POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER | MITSUI CHEMICALS INC (JP) | 2013-04-24 | — | — | EP | disclosed |
| US-7960305-B2 | a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers | MITSUI CHEMICALS, INC. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-20080177014-A1 | Polymerization Catalyst Composition and Process for Production of Polymer | MITSUI CHEMICALS, INC. (JP) | 2008-07-24 | — | — | US | disclosed |
| EP-1857471-A1 | POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER | Mitsui Chemicals, Inc. (JP) | 2007-11-21 | — | — | EP | disclosed |