⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2032049 | 0.50 | — | — | |
| SCHEMBL7096785 | 0.50 | — | — | |
| Methoxymethane SCHEMBL1579899 | 0.50 | — | — | |
| Methoxymethane SCHEMBL28306109 | 0.45 | — | — | |
| SCHEMBL31079383 | 0.45 | — | — | |
| SCHEMBL6435382 | 0.45 | — | — | |
| Cyclopentane SCHEMBL2300249 | 0.42 | — | — | |
| SCHEMBL813740 | 0.42 | — | — | |
| Hydrochloric Acid SCHEMBL6436128 | 0.42 | — | — | |
| SCHEMBL1987768 | 0.42 | — | — |
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-3293182-A1 | HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE | Aerpio Therapeutics, Inc. (US) | 2018-03-14 | — | — | EP | disclosed |