⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8608916 | 0.81 | — | — | |
| SCHEMBL22081747 | 0.81 | — | — | |
| SCHEMBL15428859 | 0.81 | — | — | |
| SCHEMBL23964052 | 0.79 | — | — | |
| SCHEMBL15810294 | 0.79 | ECE1 (0.33) | — | |
| SCHEMBL277505 | 0.78 | — | — | |
| SCHEMBL19484299 | 0.78 | — | — | |
| SCHEMBL8277440 | 0.78 | — | — | |
| SCHEMBL8621038 | 0.77 | SLC7A5 (0.32) | — | |
| SCHEMBL5319867 | 0.75 | SLC7A5 (0.50) | — |
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-5116543-A | Bathing in outer space with little water, recirculation | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) | 1992-05-26 | — | — | US | disclosed |