⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20231259 | 0.93 | — | — | |
| SCHEMBL20283890 | 0.89 | — | — | |
| SCHEMBL19450560 | 0.88 | — | — | |
| SCHEMBL24533269 | 0.88 | — | — | |
| SCHEMBL8214570 | 0.85 | — | — | |
| SCHEMBL18868578 | 0.84 | — | — | |
| SCHEMBL21907200 | 0.84 | ADORA3 (0.31) | — | |
| SCHEMBL26195860 | 0.84 | — | — | |
| SCHEMBL18723291 | 0.83 | — | — | |
| SCHEMBL24620027 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3566719-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES | Cerulean Pharma Inc. (US) | 2019-11-13 | — | — | EP | disclosed |