⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL10518980 | 1.00 | — | — | |
| Hexadecane SCHEMBL1704463 | 0.94 | TSHR (0.89) | — | |
| Heptane SCHEMBL9246831 | 0.94 | — | — | |
| Octane SCHEMBL1052118 | 0.94 | — | — | |
| Decane SCHEMBL3845278 | 0.94 | TSHR (0.89) | — | |
| Tetradecane SCHEMBL27789050 | 0.94 | TSHR (0.89) | — | |
| Hexane SCHEMBL14141588 | 0.94 | — | — | |
| Hexane SCHEMBL8705498 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL357364 | 0.94 | TSHR (0.88) | — | |
| Hexane SCHEMBL399 | 0.94 | — | — |
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-2023088425-A1 | 15-PGDH INHIBITOR AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2023-05-25 | — | — | WO | disclosed |