⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18082559 | 0.77 | CHRM1 (0.33) | — | |
| SCHEMBL16997000 | 0.75 | HRH3 (0.35) | — | |
| SCHEMBL18270428 | 0.74 | HRH3 (0.33) | — | |
| SCHEMBL24300093 | 0.73 | CTSV (0.33) | — | |
| SCHEMBL16997002 | 0.73 | HRH3 (0.39) | — | |
| SCHEMBL10186897 | 0.72 | — | — | |
| SCHEMBL12449534 | 0.72 | ATM (0.33) | — | |
| SCHEMBL22837708 | 0.71 | HRH3 (0.43) | — | |
| SCHEMBL24200792 | 0.71 | NPC1 (0.33) | — | |
| SCHEMBL18270431 | 0.70 | SMN1; SMN2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10294223-B2 | Quinolone derivatives as fibroblast growth factor receptor inhibitors | PRINCIPIA BIOPHARMA, INC. (US) | 2019-05-21 | — | — | US | disclosed |
| US-20180065960-A1 | QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS | PRINCIPIA BIOPHARMA INC. | 2018-03-08 | — | — | US | disclosed |