⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL615610 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL7766797 | 0.83 | HTR2A (0.33) | — | |
| SCHEMBL1704957 | 0.83 | HTR2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL271905 | 0.82 | HTR2A (0.34) | — | |
| SCHEMBL8754923 | 0.82 | HTR2A (0.34) | — | |
| Fluoride SCHEMBL7640655 | 0.82 | HTR2A (0.34) | — | |
| Bromide SCHEMBL6908313 | 0.82 | HTR2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL8163839 | 0.82 | HTR2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL7766826 | 0.80 | HTR2A (0.33) | — | |
| Dimethylamine SCHEMBL8357752 | 0.79 | KDM4E (0.37) | — |
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-0783022-B2 | ETHYLENIC POLYMER COMPOSITION | MITSUI CHEMICALS INC (JP) | 2016-01-20 | — | — | EP | disclosed |
| EP-0783022-B1 | ETHYLENIC POLYMER COMPOSITION | MITSUI CHEMICALS INC (JP) | 2004-09-22 | — | — | EP | disclosed |
| US-6063871-A | SPECIFIC HIGH-DENSITY ETHYLENE POLYMER AND A SPECIFIC ETHYLENE POLYMER, IN WHICH AT LEAST ONE IS PREPARED USING A METALLOCENE CATALYST, AND THE DENSITY RATIO THEREBETWEEN EXCEEDS 1; MOLDABILITY, CRACK RESISTANCE, STRENGTH AND RIGIDITY | MITSUI PETROCHEMICAL INDUSTRIES, INC. (JP) | 2000-05-16 | — | — | US | disclosed |
| EP-0783022-A1 | ETHYLENIC POLYMER COMPOSITION | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-09 | — | — | EP | disclosed |