⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3699960 | 0.74 | CHRM1 (0.32) | — | |
| SCHEMBL3700231 | 0.70 | RAB9A (0.34) | — | |
| SCHEMBL4543601 | 0.67 | AOC3 (0.34) | — | |
| SCHEMBL4537987 | 0.67 | CTSA (0.33) | — | |
| SCHEMBL4539988 | 0.66 | NPC1 (0.34) | — | |
| SCHEMBL4533642 | 0.66 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL4537085 | 0.64 | OPRM1 (0.36) | — | |
| SCHEMBL3707156 | 0.61 | PDCD1LG2 (0.36) | — | |
| SCHEMBL4570112 | 0.61 | NPC1 (0.33) | — | |
| SCHEMBL12088941 | 0.61 | NOS1 (0.36) | — |
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-2012064269-A1 | COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES | ASTRAZENECA AB (SE) | 2012-05-18 | — | — | WO | disclosed |