⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL948033 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL9782552 | 0.83 | TSHR (0.48) | — | |
| SCHEMBL253005 | 0.81 | — | — | |
| SCHEMBL11970000 | 0.79 | HTT (0.42) | — | |
| SCHEMBL8554682 | 0.79 | — | — | |
| SCHEMBL28141046 | 0.79 | — | — | |
| Acetic Acid SCHEMBL27779067 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL15732730 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL33704 | 0.77 | HTT (0.49) | — | |
| SCHEMBL9487531 | 0.76 | TSHR (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0787750-B1 | Poly(alkylethylene) structural isomers | BOREALIS GMBH (AT) | 2003-05-14 | — | — | EP | claimed |
| EP-0787750-B1 | Poly(alkylethylene) structural isomers | BOREALIS GMBH (AT) | 2003-05-14 | — | — | EP | disclosed |
| EP-0821018-A2 | Crosslinkable olefinic polymers and method for their preparation | PCD-Polymere Gesellschaft m.b.H. (AT) | 1998-01-28 | — | — | EP | disclosed |
| EP-0792894-A2 | Continuous modification of polyolefins in solid phase | PCD-Polymere Gesellschaft m.b.H. (AT) | 1997-09-03 | — | — | EP | disclosed |
| EP-0787750-A2 | Poly(alkylethylene) structural isomers | PCD-Polymere Gesellschaft m.b.H. (AT) | 1997-08-06 | — | — | EP | disclosed |