⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11585939 | 0.78 | — | — | |
| SCHEMBL17342254 | 0.73 | — | — | |
| SCHEMBL9780279 | 0.73 | — | — | |
| SCHEMBL43809 | 0.71 | — | — | |
| SCHEMBL9117801 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL9734895 | 0.69 | — | — | |
| SCHEMBL11585959 | 0.69 | — | — | |
| Water SCHEMBL23801211 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL11173104 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL384755 | 0.68 | ALDH1A1 (0.33) | — |
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-20180105618-A1 | N-HALAMINE MELAMINE DERIVATIVES AS NOVEL DECONTAMINATION AND BIOCIDAL AGENTS | STATE OF ISRAEL PRIME MINISTER'S OFFICE ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) | 2018-04-19 | — | — | US | disclosed |
| US-20180105618-A1 | N-HALAMINE MELAMINE DERIVATIVES AS NOVEL DECONTAMINATION AND BIOCIDAL AGENTS | STATE OF ISRAEL PRIME MINISTER'S OFFICE ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) | 2018-04-19 | — | — | US | disclosed |