⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22950993 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL11959960 | 0.66 | — | — | |
| SCHEMBL16186181 | 0.65 | L3MBTL1 (0.31) | — | |
| SCHEMBL22624887 | 0.65 | — | — | |
| SCHEMBL12050713 | 0.62 | — | — | |
| SCHEMBL19090813 | 0.61 | CA2 (0.30) | — | |
| SCHEMBL20852460 | 0.59 | — | — | |
| SCHEMBL9963731 | 0.59 | — | — | |
| SCHEMBL22911357 | 0.53 | PDE9A (0.30) | — | |
| SCHEMBL25437608 | 0.52 | — | — |
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-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 |