⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7053507 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL1356686 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL1357908 | 0.78 | PPM1B (0.31) | — | |
| SCHEMBL1356970 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL14528800 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL267677 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL7194636 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL16440131 | 0.68 | — | — | |
| SCHEMBL195745 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL9736427 | 0.66 | TSHR (0.42) | — |
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-8105519-B2 | Process of making a nematic elastomer fiber with mechanical properties of a muscle | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2012-01-31 | — | — | US | disclosed |