⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27961694 | 0.77 | — | — | |
| SCHEMBL27269305 | 0.73 | — | — | |
| SCHEMBL27961695 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL27961805 | 0.69 | — | — | |
| SCHEMBL27628849 | 0.63 | — | — | |
| SCHEMBL27961762 | 0.61 | — | — | |
| Hexane SCHEMBL22639024 | 0.59 | TSHR (0.37) | — | |
| SCHEMBL28810051 | 0.56 | — | — | |
| SCHEMBL28153562 | 0.56 | — | — | |
| SCHEMBL28916432 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103781937-A | Film-forming material, sealing film using same, and use of sealing film | TOSOH CORP | 2014-05-07 | — | — | CN | disclosed |
| CN-1675155-A | Process for preparing aryl allyl ethers | DOW GLOBAL TECHNOLOGIES INC (US) | 2005-09-28 | — | — | CN | disclosed |