⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19007319 | 0.78 | HSD17B1 (0.32) | — | |
| SCHEMBL21204654 | 0.72 | HSD17B1 (0.32) | — | |
| SCHEMBL21169494 | 0.71 | CYP1A1 (0.43) | — | |
| SCHEMBL22006928 | 0.69 | — | — | |
| SCHEMBL20081091 | 0.67 | MAPT (0.45) | — | |
| SCHEMBL18678654 | 0.66 | ESR1 (0.36) | — | |
| SCHEMBL17621843 | 0.65 | ESR1 (0.43) | — | |
| SCHEMBL20081045 | 0.64 | ENPP1 (0.32) | — | |
| SCHEMBL20081070 | 0.64 | ESR1 (0.42) | — | |
| SCHEMBL20081092 | 0.64 | ESR1 (0.42) | — |
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-3561876-A1 | DISPLAY | Novaled GmbH (DE) | 2019-10-30 | — | — | EP | disclosed |