⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5767080 | 0.80 | — | — | |
| SCHEMBL29490437 | 0.77 | — | — | |
| SCHEMBL22284081 | 0.73 | — | — | |
| SCHEMBL20286448 | 0.73 | — | — | |
| SCHEMBL11701816 | 0.70 | — | — | |
| SCHEMBL11397980 | 0.69 | — | — | |
| SCHEMBL27904165 | 0.68 | SLC6A1 (0.33) | — | |
| SCHEMBL536794 | 0.67 | ARG1 (0.32) | — | |
| SCHEMBL24282474 | 0.65 | — | — | |
| SCHEMBL6593654 | 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 |
|---|---|---|---|---|---|---|---|
| US-20010034366-A1 | Compositions based on iodopropynyl-and formaldehyde donor compounds and to their use as preservatives | AIR LIQUIDE SANTE (INTERNATIONAL) (FR) | 2001-10-25 | — | — | US | claimed |
| US-6355679-B1 | BACTERICIDES, FUNGICIDES | AIR LIQUIDE SANTE (INTERNATIONAL) (FR) | 2002-03-12 | — | — | US | disclosed |