⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1494220 | 0.87 | — | — | |
| SCHEMBL23880592 | 0.85 | — | — | |
| SCHEMBL23566512 | 0.85 | TAS1R3 (0.38) | — | |
| SCHEMBL23566513 | 0.85 | TAS1R3 (0.38) | — | |
| SCHEMBL23566651 | 0.85 | TAS1R3 (0.38) | — | |
| SCHEMBL23883125 | 0.85 | — | — | |
| SCHEMBL10762967 | 0.84 | — | — | |
| SCHEMBL10310213 | 0.82 | TAS1R3 (0.40) | — | |
| SCHEMBL6263379 | 0.80 | CA12 (0.34) | — | |
| SCHEMBL17046803 | 0.80 | SPHK1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023083343-A1 | POLYCYCLIC COMPOUNDS AND METHODS THEREOF | HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |
| US-10696707-B2 | Polyene macrolide derivative | SHIONOGI & CO., LTD. (JP) | 2020-06-30 | — | — | US | disclosed |
| US-20190135847-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2019-05-09 | — | — | US | disclosed |
| US-10246478-B2 | Polyene macrolide derivative | SHIONOGI & CO., LTD. (JP) | 2019-04-02 | — | — | US | disclosed |
| US-20170190729-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |