⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24770223 | 0.93 | — | — | |
| SCHEMBL24770265 | 0.72 | — | — | |
| SCHEMBL24769598 | 0.72 | — | — | |
| SCHEMBL24769597 | 0.70 | — | — | |
| SCHEMBL603446 | 0.69 | — | — | |
| SCHEMBL23957678 | 0.69 | — | — | |
| SCHEMBL24770014 | 0.68 | — | — | |
| SCHEMBL24501343 | 0.67 | — | — | |
| SCHEMBL24769317 | 0.67 | — | — | |
| SCHEMBL7280789 | 0.65 | CA12 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240287080-A1 | O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) | 2024-08-29 | — | — | US | disclosed |
| EP-4352055-A1 | O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS | Ideaya Biosciences, Inc. (US) | 2024-04-17 | — | — | EP | disclosed |
| WO-2022259204-A1 | O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2022-12-15 | — | — | WO | disclosed |
| WO-2022259204-A1 | O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2022-12-15 | — | — | WO | disclosed |