⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24420284 | 0.72 | — | — | |
| SCHEMBL23231068 | 0.71 | — | — | |
| SCHEMBL19453376 | 0.71 | — | — | |
| SCHEMBL21079080 | 0.69 | — | — | |
| SCHEMBL20247615 | 0.66 | — | — | |
| SCHEMBL24961408 | 0.66 | — | — | |
| SCHEMBL24159175 | 0.65 | CES1 (0.34) | — | |
| SCHEMBL21939218 | 0.65 | — | — | |
| SCHEMBL20847818 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL19591135 | 0.65 | — | — |
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-2018081167-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2018-05-03 | — | — | WO | disclosed |