⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1308116 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL20447607 | 0.98 | ADRA2A (0.42) | — | |
| Hydrochloric Acid SCHEMBL3493988 | 0.98 | ADRA2A (0.42) | — | |
| SCHEMBL8337948 | 0.82 | HRH1 (0.47) | — | |
| SCHEMBL31497358 | 0.82 | HRH1 (0.47) | — | |
| SCHEMBL509659 | 0.78 | — | — | |
| SCHEMBL1311526 | 0.76 | — | — | |
| SCHEMBL18292742 | 0.76 | — | — | |
| SCHEMBL510846 | 0.76 | — | — | |
| SCHEMBL1311227 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119431371-B | Beta-carbolin 3,6, 9-modified derivative and preparation method and application thereof | 沈阳药科大学 | 2026-05-19 | — | — | CN | disclosed |
| CN-119431371-A | Beta-carbolin 3,6, 9-modified derivative and preparation method and application thereof | 沈阳药科大学 | 2025-02-14 | — | — | CN | disclosed |