⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL60780 | 0.88 | — | — | |
| SCHEMBL1471112 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL31129787 | 0.74 | TSHR (0.31) | — | |
| Lithium Ion SCHEMBL7199681 | 0.73 | — | — | |
| SCHEMBL4454117 | 0.73 | — | — | |
| SCHEMBL191481 | 0.73 | — | — | |
| SCHEMBL8153353 | 0.69 | — | — | |
| SCHEMBL62546 | 0.69 | — | — | |
| SCHEMBL6915228 | 0.66 | — | — | |
| Iodide SCHEMBL1686506 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011025784-A1 | CATALYST AND PROCESS FOR POLYMERIZING AN OLEFIN AND POLYOLEFIN PREPARED THEREBY | DOW GLOBAL TECHNOLOGIES INC. (US) | 2011-03-03 | — | — | WO | disclosed |
| WO-2011016991-A2 | DUAL- OR MULTI-HEADED CHAIN SHUTTLING AGENTS AND THEIR USE FOR THE PREPARATION OF BLOCK COPOLYMERS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2011-02-10 | — | — | WO | disclosed |