⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7952740 | 0.77 | LMNA (0.32) | — | |
| SCHEMBL7957996 | 0.74 | — | — | |
| SCHEMBL6767285 | 0.71 | BACE1 (0.30) | — | |
| SCHEMBL19980382 | 0.69 | — | — | |
| SCHEMBL12574324 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL12220780 | 0.69 | — | — | |
| SCHEMBL23615128 | 0.67 | NPC1 (0.30) | — | |
| SCHEMBL19677064 | 0.67 | — | — | |
| SCHEMBL22591067 | 0.66 | MAPT (0.30) | — | |
| SCHEMBL13889155 | 0.63 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200239435-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | ATTUNE PHARMACEUTICALS, INC. | 2020-07-30 | — | — | US | disclosed |