⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24501454 | 0.66 | — | — | |
| SCHEMBL1890897 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL29860057 | 0.61 | PREP (0.33) | — | |
| SCHEMBL6412973 | 0.60 | PREP (0.30) | — | |
| SCHEMBL30675545 | 0.59 | CA1 (0.33) | — | |
| SCHEMBL24538833 | 0.59 | CA1 (0.33) | — | |
| SCHEMBL30675543 | 0.59 | CA1 (0.33) | — | |
| SCHEMBL28726143 | 0.58 | — | — | |
| SCHEMBL23563100 | 0.58 | ALOX5AP (0.32) | — | |
| SCHEMBL30015455 | 0.58 | ALOX5AP (0.32) | — |
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-2022118210-A1 | SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2022-06-09 | — | — | WO | disclosed |