⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18705301 | 0.93 | GAA (0.32) | — | |
| SCHEMBL18713125 | 0.88 | PTGS1 (0.33) | — | |
| SCHEMBL18705302 | 0.85 | GAA (0.33) | — | |
| SCHEMBL11942298 | 0.80 | GAA (0.32) | — | |
| SCHEMBL23355259 | 0.75 | GAA (0.34) | — | |
| SCHEMBL16013474 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL16012587 | 0.74 | PTGS1 (0.32) | — | |
| SCHEMBL16012763 | 0.72 | PTGS2 (0.36) | — | |
| SCHEMBL26290593 | 0.71 | GAA (0.36) | — | |
| SCHEMBL13212316 | 0.71 | GAA (0.37) | — |
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-20170095445-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES OF THE LUNG | RADIKAL THERAPEUTICS INC (US) | 2017-04-06 | — | — | US | disclosed |