⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4146679 | 0.77 | — | — | |
| SCHEMBL23895934 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL17476050 | 0.75 | CYP2C19 (0.37) | — | |
| SCHEMBL16081990 | 0.73 | CYP2C19 (0.35) | — | |
| SCHEMBL10055266 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL4149507 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL19091308 | 0.72 | CYP2C19 (0.39) | — | |
| SCHEMBL17234215 | 0.70 | CYP2C19 (0.33) | — | |
| SCHEMBL30879561 | 0.70 | CYP2C19 (0.58) | — | |
| SCHEMBL15592837 | 0.69 | CYP2C19 (0.35) | — |
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 6 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 |
| 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 |
| US-20170190729-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |
| EP-3156410-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-04-19 | — | — | EP | disclosed |