⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26578040 | 0.88 | — | — | |
| SCHEMBL25724223 | 0.81 | MAPT (0.33) | — | |
| SCHEMBL22328037 | 0.78 | CYP11B1 (0.33) | — | |
| SCHEMBL22328036 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL22924138 | 0.73 | CHRM4 (0.32) | — | |
| SCHEMBL24089313 | 0.71 | — | — | |
| SCHEMBL22924124 | 0.69 | — | — | |
| SCHEMBL24089317 | 0.67 | — | — | |
| SCHEMBL25700482 | 0.63 | ADORA2A (0.37) | — | |
| SCHEMBL24089504 | 0.63 | — | — |
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-20240226113-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-07-11 | — | — | US | disclosed |