⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22588562 | 0.76 | — | — | |
| SCHEMBL12952433 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL4296114 | 0.74 | — | — | |
| SCHEMBL10953915 | 0.72 | — | — | |
| SCHEMBL10052755 | 0.70 | — | — | |
| SCHEMBL13294309 | 0.69 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL4302421 | 0.67 | — | — | |
| SCHEMBL21184801 | 0.67 | — | — | |
| SCHEMBL12132583 | 0.67 | — | — | |
| SCHEMBL21845313 | 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 |
|---|---|---|---|---|---|---|---|
| CN-1127757-A | Novel tetrahydropyran compounds, their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1996-07-31 | — | — | CN | claimed |
| EP-1770134-B1 | Photochemically curable ink composition comprising an alkylated oxirane | FUJIFILM CORP (JP) | 2009-11-11 | — | — | EP | disclosed |