⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2521899 | 1.00 | — | — | |
| SCHEMBL19306301 | 1.00 | — | — | |
| SCHEMBL2527021 | 1.00 | — | — | |
| SCHEMBL13925626 | 1.00 | — | — | |
| SCHEMBL14042201 | 0.93 | HPSE (0.31) | — | |
| SCHEMBL11206262 | 0.89 | HPSE (0.33) | — | |
| SCHEMBL14617505 | 0.85 | — | — | |
| SCHEMBL16687811 | 0.84 | — | — | |
| SCHEMBL9971329 | 0.84 | — | — | |
| SCHEMBL23743606 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015187040-A1 | AMINO SPHINGOGLYCOLIPID ANALOGUES | ANDERSON REGAN JAMES (NZ) | 2015-12-10 | — | — | WO | disclosed |