⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17756694 | 0.77 | — | — | |
| SCHEMBL20375458 | 0.72 | — | — | |
| SCHEMBL11182940 | 0.70 | — | — | |
| SCHEMBL4388666 | 0.67 | — | — | |
| SCHEMBL5243273 | 0.65 | — | — | |
| SCHEMBL16026630 | 0.65 | KMT2A (0.34) | — | |
| SCHEMBL16026685 | 0.64 | KMT2A (0.33) | — | |
| SCHEMBL16026722 | 0.64 | KMT2A (0.33) | — | |
| SCHEMBL2052034 | 0.62 | PREP (0.36) | — | |
| SCHEMBL14130970 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3653598-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING , -DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS | Gemphire Therapeutics Inc. (US) | 2020-05-20 | — | — | EP | disclosed |