⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630263 | 0.65 | — | — | |
| Bromide SCHEMBL3053670 | 0.63 | — | — | |
| Fluoride Ion SCHEMBL7027242 | 0.63 | — | — | |
| SCHEMBL3631072 | 0.61 | — | — | |
| SCHEMBL627736 | 0.60 | — | — | |
| SCHEMBL3628353 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL7035333 | 0.59 | — | — | |
| SCHEMBL6046915 | 0.58 | ALDH1A1 (0.37) | — | |
| SCHEMBL9616634 | 0.57 | — | — | |
| Bromide SCHEMBL6155997 | 0.57 | — | — |
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-20180146665-A1 | CLICKABLE ANTIMICROBIAL MOLECULES AND POLYMERS | ALEO BME INC (US) | 2018-05-31 | — | — | US | disclosed |