⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23266931 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL20623191 | 0.81 | — | — | |
| SCHEMBL21603592 | 0.81 | — | — | |
| SCHEMBL24235898 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL24943893 | 0.76 | — | — | |
| SCHEMBL4339475 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL26075416 | 0.70 | — | — | |
| SCHEMBL24489326 | 0.70 | — | — | |
| SCHEMBL7078217 | 0.69 | — | — | |
| SCHEMBL674916 | 0.69 | — | — |
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 |