⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15243734 | 1.00 | — | — | |
| SCHEMBL22158339 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL22158342 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL2386598 | 0.78 | — | — | |
| SCHEMBL19275085 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL14895229 | 0.73 | — | — | |
| SCHEMBL6658335 | 0.73 | — | — | |
| SCHEMBL19441880 | 0.73 | — | — | |
| SCHEMBL10432324 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL6658330 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3478698-A1 | METHOD FOR THE SEPARATION OF ENANTIOMERIC MIXTURES FROM METAL COMPLEXES | Merck Patent GmbH (DE) | 2019-05-08 | — | — | EP | disclosed |
| US-20140275464-A1 | POLYENUREAS AND METHOD OF MAKING THE SAME | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2014-09-18 | — | — | US | disclosed |
| US-8735526-B2 | Polyenureas and method of making the same | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2014-05-27 | — | — | US | disclosed |
| WO-2007040706-A2 | POLYENUREAS AND METHOD OF MAKING THE SAME | THE GOVERNMENT OF THE USA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2007-04-12 | — | — | WO | disclosed |
| US-20070060733-A1 | Polyenureas and method of making the same | U.S.A. AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE | 2007-03-15 | — | — | US | disclosed |