⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19286733 | 0.72 | — | — | |
| SCHEMBL24501888 | 0.61 | FABP3 (0.36) | — | |
| SCHEMBL20274086 | 0.61 | ERN1 (0.32) | — | |
| SCHEMBL10812798 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL18637974 | 0.59 | TSHR (0.32) | — | |
| SCHEMBL21297953 | 0.58 | — | — | |
| SCHEMBL13616988 | 0.58 | CXCR5 (0.33) | — | |
| SCHEMBL17344324 | 0.58 | NFE2L2 (0.44) | — | |
| SCHEMBL21929659 | 0.57 | — | — | |
| SCHEMBL24063958 | 0.57 | NPC1 (0.34) | — |
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-9725470-B2 | Substituted naphthyridines as JAK kinase inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2017-08-08 | — | — | US | disclosed |