⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10907368 | 1.00 | — | — | |
| SCHEMBL28671281 | 0.82 | — | — | |
| Methane SCHEMBL29025618 | 0.82 | — | — | |
| SCHEMBL19457675 | 0.82 | — | — | |
| Water SCHEMBL21932923 | 0.82 | — | — | |
| SCHEMBL28733014 | 0.82 | — | — | |
| SCHEMBL28957953 | 0.82 | — | — | |
| SCHEMBL1696951 | 0.82 | — | — | |
| SCHEMBL1536971 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6143501 | 0.82 | — | — |
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-5078987-A | Iodine complexed with polyvinylpyrrolidone in a plastic container, storage stability | SUNSTAR K.K. (JP) | 1992-01-07 | — | — | US | disclosed |