⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8670646 | 0.75 | — | — | |
| SCHEMBL2260752 | 0.69 | — | — | |
| SCHEMBL98078 | 0.67 | — | — | |
| SCHEMBL531580 | 0.67 | — | — | |
| SCHEMBL251279 | 0.65 | — | — | |
| SCHEMBL3115191 | 0.65 | — | — | |
| SCHEMBL8167995 | 0.65 | — | — | |
| SCHEMBL26980356 | 0.65 | — | — | |
| SCHEMBL515462 | 0.65 | — | — | |
| SCHEMBL1355822 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-54090134-A | — | — | None | — | — | JP | disclosed |
| US-20080039342-A1 | PROCESS FOR TRANSITION METAL-CATALYZED ELECTROCHEMICAL ALLYLIC ALKYLATION ON AN ELECTRODE ARRAY DEVICE | COMBIMATRIX CORPORATION (US) | 2008-02-14 | — | — | US | disclosed |
| JP-S5490134-A | PREPARATION OF TEREPHTHALIC ACID | MITSUI PETROCHEM IND LTD | 1979-07-17 | — | — | JP | disclosed |