⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18595661 | 0.84 | — | — | |
| SCHEMBL16689109 | 0.77 | PIK3CD (0.30) | — | |
| SCHEMBL179281 | 0.77 | CYP1A2 (0.40) | — | |
| SCHEMBL21362853 | 0.72 | TTR (0.33) | — | |
| SCHEMBL55948 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL30951905 | 0.72 | SYK (0.30) | — | |
| SCHEMBL19303569 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL21681348 | 0.72 | — | — | |
| SCHEMBL1047467 | 0.71 | EPHX1 (0.31) | — | |
| SCHEMBL12928742 | 0.70 | PIK3CD (0.35) | — |
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-20220119390-A1 | TRICYCLIC COMPOUNDS | JACOBIO PHARMACEUTICALS CO LTD (CN) | 2022-04-21 | — | — | US | disclosed |