⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19628656 | 0.69 | L3MBTL1 (0.42) | — | |
| SCHEMBL8793038 | 0.68 | HRH3 (0.46) | — | |
| SCHEMBL17038779 | 0.68 | MTNR1B (0.42) | — | |
| SCHEMBL19628651 | 0.67 | MAPT (0.39) | — | |
| SCHEMBL19628877 | 0.67 | L3MBTL1 (0.33) | — | |
| SCHEMBL9803524 | 0.66 | ACHE (0.38) | — | |
| SCHEMBL2032401 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL23868247 | 0.65 | QPCT (0.33) | — | |
| SCHEMBL514228 | 0.64 | QPCT (0.49) | — | |
| SCHEMBL22282184 | 0.64 | SMN1; SMN2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017199028-A1 | BIOORTHOGONAL COMPOUNDS COMPRISING A PROPARGYL GROUP FOR TREATING CANCER | THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) | 2017-11-23 | — | — | WO | disclosed |