⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11061993 | 0.80 | — | — | |
| SCHEMBL11192740 | 0.79 | — | — | |
| SCHEMBL46409 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL28584959 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL7949071 | 0.67 | — | — | |
| SCHEMBL14524703 | 0.67 | CYP19A1 (0.32) | — | |
| SCHEMBL14064604 | 0.67 | — | — | |
| SCHEMBL25377362 | 0.64 | USP2 (0.32) | — | |
| SCHEMBL4401329 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL13908145 | 0.64 | CYP4F2 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268917-A1 | USE OF 3-IODINE-2-PROPINYL-CARBAMATES AS ANTIMICROBIAL ACTIVE AGENT | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001075213-A1 | USE OF 3-IODINE-2-PROPINYL-CARBAMATES AS ANTIMICROBIAL ACTIVE AGENT | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-10-11 | — | — | WO | disclosed |
| EP-0093963-A1 | Substituted 2-(3-iodo-2-propynyloxy) ethanols, their preparation and their use as antimicrobial substances | Henkel Kommanditgesellschaft auf Aktien (DE) | 1983-11-16 | — | — | EP | disclosed |
| EP-0093962-A1 | 2-(3-Iodo-2-propynyloxy)-ethanol carbamates, preparation and use thereof as a microbicidal substance | Henkel Kommanditgesellschaft auf Aktien (DE) | 1983-11-16 | — | — | EP | disclosed |