⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24311846 | 0.93 | SLC22A1 (0.30) | — | |
| SCHEMBL24311849 | 0.69 | — | — | |
| SCHEMBL6032385 | 0.69 | CYP1A2 (0.34) | — | |
| SCHEMBL24147127 | 0.67 | — | — | |
| SCHEMBL19344901 | 0.63 | ADRA2A (0.30) | — | |
| SCHEMBL2629330 | 0.61 | — | — | |
| SCHEMBL20556047 | 0.60 | — | — | |
| SCHEMBL23438999 | 0.60 | CHRNA7 (0.31) | — | |
| SCHEMBL20969942 | 0.59 | PPARA (0.40) | — | |
| SCHEMBL25220765 | 0.58 | ALDH1A1 (0.41) | — |
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-11214565-B2 | Compound, compositions, and methods | DENALI THERAPEUTICS INC. (US) | 2022-01-04 | — | — | US | disclosed |