⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16774630 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL58479 | 0.86 | — | — | |
| SCHEMBL23355931 | 0.86 | — | — | |
| SCHEMBL10852140 | 0.83 | TSHR (0.42) | — | |
| SCHEMBL27888948 | 0.81 | — | — | |
| SCHEMBL8439516 | 0.81 | — | — | |
| SCHEMBL7355368 | 0.81 | MEN1 (0.35) | — | |
| SCHEMBL7478132 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL37435 | 0.77 | — | — | |
| SCHEMBL11462276 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115521316-A | Preparation method of nucleoside compound or intermediate thereof and nucleoside compound intermediate | 深圳安泰维生物医药有限公司 | 2022-12-27 | — | — | CN | disclosed |
| US-9593138-B2 | Nitrile-containing enzyme inhibitors and ruthenium complexes thereof | WAYNE STATE UNIVERSITY (US) | 2017-03-14 | — | — | US | disclosed |
| US-20140100173-A1 | Nitrile-containing enzyme inhibitors and ruthenium complexes thereof | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2014-04-10 | — | — | US | disclosed |
| WO-2012090969-A1 | AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-07-05 | — | — | WO | disclosed |
| EP-1644363-B1 | TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER | GEMIN X PHARMACEUTICALS CANADA INC (CA) | 2012-02-22 | — | — | EP | disclosed |
| US-20100222257-A1 | SUBSTITUTED PHENETHYLAMINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-09-02 | — | — | US | disclosed |
| US-4804654-A | INSECTICIDES, MITICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-02-14 | — | — | US | disclosed |