⚠ 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 | |
|---|---|---|---|---|
| Domiodol SCHEMBL19352 | 1.00 | — | — | |
| SCHEMBL252279 | 0.83 | — | — | |
| SCHEMBL19694 | 0.83 | PRKD3 (0.36) | — | |
| SCHEMBL9181813 | 0.77 | — | — | |
| SCHEMBL12535579 | 0.77 | — | — | |
| SCHEMBL11153107 | 0.77 | — | — | |
| SCHEMBL9172771 | 0.77 | — | — | |
| SCHEMBL4864294 | 0.77 | — | — | |
| SCHEMBL4876623 | 0.74 | PRKD3 (0.46) | — | |
| SCHEMBL10817323 | 0.74 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4085223-A | Halogenated derivatives of 1,3-dioxolane having mucolytic activity | MAGGIONI & C. S.P.A. (IT) | 1978-04-18 | — | — | US | claimed |