⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25072170 | 0.84 | ACE (0.32) | — | |
| SCHEMBL25072166 | 0.77 | — | — | |
| SCHEMBL25072167 | 0.69 | SIRT6 (0.31) | — | |
| SCHEMBL27218100 | 0.68 | ALDH1A1 (0.45) | — | |
| SCHEMBL27218102 | 0.68 | ALDH1A1 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL30416300 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL31508459 | 0.63 | ALDH1A1 (0.37) | — | |
| SCHEMBL19197811 | 0.62 | — | — | |
| SCHEMBL19163996 | 0.62 | — | — | |
| SCHEMBL10946624 | 0.61 | — | — |
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-2023021003-A1 | ANTIBODY AND ANTIGEN BINDING FRAGMENTS THEREOF | PHILIP MORRIS PRODUCTS S.A. (CH) | 2023-02-23 | — | — | WO | disclosed |