⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2819 | 1.00 | — | — | |
| Water SCHEMBL27399407 | 0.97 | — | — | |
| Iodide SCHEMBL27032697 | 0.97 | — | — | |
| Fluoride SCHEMBL27290847 | 0.97 | — | — | |
| SCHEMBL27565394 | 0.97 | — | — | |
| SCHEMBL5918593 | 0.97 | — | — | |
| SCHEMBL28389065 | 0.97 | — | — | |
| SCHEMBL8196027 | 0.97 | — | — | |
| Water SCHEMBL28860102 | 0.97 | TSHR (0.93) | — | |
| Hydrochloric Acid SCHEMBL27280754 | 0.97 | — | — |
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-20030171434-A1 | Branched amino acids | MEDIVIR UK LIMITED (GB) | 2003-09-11 | — | — | US | disclosed |