⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15131326 | 0.83 | KDM4E (0.46) | — | |
| SCHEMBL961243 | 0.78 | — | — | |
| SCHEMBL15499757 | 0.76 | — | — | |
| SCHEMBL17521505 | 0.72 | — | — | |
| SCHEMBL24038950 | 0.72 | — | — | |
| SCHEMBL11461175 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL13169735 | 0.71 | KDM4E (0.46) | — | |
| SCHEMBL15499807 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL13034177 | 0.69 | — | — | |
| SCHEMBL432430 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11149033-B2 | Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient | INSTITUT PASTEUR KOREA (KR) | 2021-10-19 | — | — | US | disclosed |
| US-20200031816-A1 | NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT | ST PHARM CO., LTD. (KR) | 2020-01-30 | — | — | US | disclosed |