⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5214003 | 1.00 | — | — | |
| SCHEMBL9768992 | 1.00 | — | — | |
| SCHEMBL31494754 | 1.00 | — | — | |
| Water SCHEMBL10818583 | 0.98 | ALDH1A1 (0.67) | — | |
| Water SCHEMBL10818589 | 0.98 | ALDH1A1 (0.67) | — | |
| Water SCHEMBL10818587 | 0.98 | ALDH1A1 (0.67) | — | |
| Methane SCHEMBL28251981 | 0.98 | ALDH1A1 (0.67) | — | |
| SCHEMBL28251984 | 0.85 | ALDH1A1 (0.51) | — | |
| SCHEMBL28251985 | 0.85 | ALDH1A1 (0.51) | — | |
| SCHEMBL28073535 | 0.82 | ALDH1A1 (1.00) | — |
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-20180072675-A1 | ANTIMICROBIAL PYRIDINOHYDRAZIDE AND HYDRAZOMETHYLPYRIDINE-BASED AGENTS | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE | 2018-03-15 | — | — | US | disclosed |