⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL440352 | 1.00 | — | — | |
| SCHEMBL265423 | 1.00 | — | — | |
| SCHEMBL8115501 | 1.00 | — | — | |
| SCHEMBL1375335 | 1.00 | — | — | |
| SCHEMBL1688785 | 1.00 | — | — | |
| SCHEMBL5521450 | 1.00 | — | — | |
| SCHEMBL4920447 | 1.00 | — | — | |
| SCHEMBL438545 | 1.00 | — | — | |
| SCHEMBL10441953 | 0.97 | GABRR1 (0.48) | — | |
| SCHEMBL5500131 | 0.97 | GABRR1 (0.48) | — |
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-2023067515-A1 | THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2023-04-27 | — | — | WO | disclosed |