⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21960166 | 0.79 | CYP2D6 (0.33) | — | |
| SCHEMBL18831096 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL24125179 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL19706915 | 0.77 | — | — | |
| SCHEMBL10376247 | 0.77 | — | — | |
| SCHEMBL18638143 | 0.77 | — | — | |
| SCHEMBL5392636 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL24526936 | 0.72 | — | — | |
| SCHEMBL29263118 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL24526990 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3518960-B1 | DOSAGE REGIMEN FOR A CONTROLLED-RELEASE PTH COMPOUND | ASCENDIS PHARMA BONE DISEASES AS (DK) | 2023-07-19 | — | — | EP | disclosed |