⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3084079 | 0.73 | — | — | |
| SCHEMBL25801845 | 0.71 | CYP1A2 (0.48) | — | |
| SCHEMBL20202350 | 0.70 | — | — | |
| SCHEMBL9063292 | 0.70 | — | — | |
| SCHEMBL9062428 | 0.69 | — | — | |
| SCHEMBL12680356 | 0.69 | — | — | |
| SCHEMBL1014046 | 0.67 | — | — | |
| SCHEMBL19197699 | 0.67 | SPHK2 (0.52) | — | |
| SCHEMBL11590254 | 0.67 | SPHK2 (0.52) | — | |
| SCHEMBL9062425 | 0.67 | SPHK2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3812376-A1 | PACLITAXEL-LIPID-POLYSACCHARIDE DUAL-TYPE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF | Santolecan Pharmaceuticals LLC (US) | 2021-04-28 | — | — | EP | disclosed |