⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15727268 | 0.90 | TERF2 (0.30) | — | |
| SCHEMBL15726434 | 0.78 | PDE4B (0.35) | — | |
| SCHEMBL23736118 | 0.77 | PDE4B (0.33) | — | |
| SCHEMBL23736280 | 0.74 | KMT2A (0.33) | — | |
| SCHEMBL23736111 | 0.69 | SLC6A2 (0.32) | — | |
| SCHEMBL23736270 | 0.68 | KMT2A (0.32) | — | |
| SCHEMBL23736283 | 0.67 | KMT2A (0.31) | — | |
| SCHEMBL23736230 | 0.66 | GAA (0.50) | — | |
| SCHEMBL16003117 | 0.66 | SLC6A2 (0.33) | — | |
| SCHEMBL15727251 | 0.64 | CTSD (0.33) | — |
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-2922829-B1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS INC (US) | 2021-08-11 | — | — | EP | disclosed |