⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20887362 | 0.89 | — | — | |
| SCHEMBL132032 | 0.89 | — | — | |
| SCHEMBL31165507 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2689743 | 0.86 | DRD2 (0.32) | — | |
| Bromide SCHEMBL28185084 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL27800094 | 0.86 | — | — | |
| Propane SCHEMBL27604302 | 0.80 | SLC6A2 (0.36) | — | |
| Carbamic Acid SCHEMBL27853526 | 0.77 | SLC6A2 (0.37) | — | |
| SCHEMBL21585766 | 0.75 | — | — | |
| Morpholine SCHEMBL27773894 | 0.72 | MEN1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106459169-A | Pharmaceutically relevant aromatic-cationic peptides | 康德生物医疗技术公司 | 2017-02-22 | — | — | CN | disclosed |