⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20117169 | 0.73 | — | — | |
| SCHEMBL8315194 | 0.69 | — | — | |
| SCHEMBL14186830 | 0.66 | — | — | |
| SCHEMBL16359269 | 0.66 | MRGPRX2 (0.33) | — | |
| SCHEMBL17173448 | 0.65 | — | — | |
| SCHEMBL13814710 | 0.61 | — | — | |
| SCHEMBL12816825 | 0.56 | SLC6A3 (0.33) | — | |
| SCHEMBL20780509 | 0.56 | — | — | |
| SCHEMBL14530395 | 0.55 | — | — | |
| SCHEMBL13220395 | 0.53 | GSK3A (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-2019209948-A9 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-01-02 | — | — | WO | disclosed |