⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21844857 | 0.88 | — | — | |
| SCHEMBL6762203 | 0.81 | CHRM2 (0.30) | — | |
| SCHEMBL5598924 | 0.76 | CHRM2 (0.30) | — | |
| SCHEMBL9386519 | 0.74 | — | — | |
| SCHEMBL3071574 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL14964377 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL7268698 | 0.71 | CHRM2 (0.40) | — | |
| SCHEMBL5694819 | 0.71 | CHRM2 (0.40) | — | |
| SCHEMBL978474 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL4141535 | 0.70 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11777142-B2 | Gelable system containing ether compounds, preparation method therefor and use thereof | BEIJING NORMAL UNIVERSITY (CN) | 2023-10-03 | — | — | US | disclosed |