⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18501657 | 0.82 | DRD2 (0.32) | — | |
| SCHEMBL16996991 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL19939276 | 0.78 | HRH3 (0.36) | — | |
| SCHEMBL24359072 | 0.77 | PIK3CD (0.38) | — | |
| SCHEMBL24995546 | 0.77 | ESRRG (0.31) | — | |
| SCHEMBL19115749 | 0.77 | — | — | |
| SCHEMBL24854965 | 0.76 | JAK2 (0.35) | — | |
| SCHEMBL22388202 | 0.75 | PIK3CD (0.48) | — | |
| SCHEMBL24854943 | 0.74 | PIK3CD (0.32) | — | |
| SCHEMBL24854941 | 0.74 | TSHR (0.32) | — |
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-20210292323-A1 | Quinolone Derivatives as Fibroblast Growth Factor Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2021-09-23 | — | — | US | disclosed |