⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13463912 | 0.77 | — | — | |
| SCHEMBL23191050 | 0.72 | — | — | |
| SCHEMBL22449243 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL16359981 | 0.70 | — | — | |
| SCHEMBL24620292 | 0.69 | CYP3A4 (0.31) | — | |
| SCHEMBL13679667 | 0.69 | — | — | |
| SCHEMBL22422801 | 0.65 | — | — | |
| SCHEMBL24833754 | 0.65 | MAPT (0.30) | — | |
| SCHEMBL24464491 | 0.65 | — | — | |
| SCHEMBL21662856 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018063105-A1 | [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2018-04-05 | — | — | WO | disclosed |