⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27615563 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL27820255 | 0.75 | — | — | |
| SCHEMBL7794827 | 0.72 | — | — | |
| SCHEMBL8724779 | 0.69 | GGT1 (0.45) | — | |
| SCHEMBL16592163 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL31614207 | 0.69 | — | — | |
| SCHEMBL8831187 | 0.69 | — | — | |
| SCHEMBL10580520 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL5956013 | 0.69 | — | — | |
| SCHEMBL21696177 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016016158-A1 | CURABLE COMPOSITION AND CURED PRODUCT HAVING ANTI-MICROBIAL PROPERTIES | Fachhochschule Münster (DE) | 2016-02-04 | — | — | WO | disclosed |