⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12826636 | 0.86 | FDPS (0.37) | — | |
| SCHEMBL20988033 | 0.79 | DPP4 (0.37) | — | |
| SCHEMBL7557605 | 0.77 | — | — | |
| SCHEMBL57301 | 0.75 | — | — | |
| SCHEMBL2360034 | 0.72 | DPP4 (0.41) | — | |
| SCHEMBL15348806 | 0.72 | KDM4E (0.42) | — | |
| SCHEMBL11575106 | 0.72 | — | — | |
| SCHEMBL13076968 | 0.71 | — | — | |
| SCHEMBL7063079 | 0.71 | — | — | |
| SCHEMBL13531016 | 0.69 | FDPS (0.38) | — |
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-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 |