⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25741867 | 1.00 | — | — | |
| SCHEMBL2535219 | 0.93 | POLB (0.31) | — | |
| SCHEMBL12857078 | 0.79 | — | — | |
| SCHEMBL12857261 | 0.79 | — | — | |
| SCHEMBL25182793 | 0.70 | POLB (0.30) | — | |
| SCHEMBL28652596 | 0.69 | — | — | |
| SCHEMBL13284102 | 0.68 | GABRP (0.31) | — | |
| SCHEMBL104614 | 0.67 | — | — | |
| SCHEMBL8715419 | 0.65 | — | — | |
| SCHEMBL31756566 | 0.65 | TRIM24 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022164789-A9 | TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS | SCHRÖDINGER, INC. (US) | 2023-05-25 | — | — | WO | disclosed |