⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28206661 | 0.84 | — | — | |
| SCHEMBL634065 | 0.72 | — | — | |
| SCHEMBL12570741 | 0.72 | — | — | |
| SCHEMBL997536 | 0.71 | — | — | |
| SCHEMBL11317907 | 0.70 | — | — | |
| SCHEMBL18643924 | 0.70 | — | — | |
| SCHEMBL23519176 | 0.67 | — | — | |
| SCHEMBL9320535 | 0.67 | — | — | |
| SCHEMBL21169296 | 0.67 | — | — | |
| SCHEMBL21620741 | 0.67 | — | — |
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-2023154282-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | THERAS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |