⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20786313 | 1.00 | — | — | |
| SCHEMBL18888217 | 0.78 | — | — | |
| SCHEMBL23170470 | 0.78 | — | — | |
| SCHEMBL21427162 | 0.76 | ADH1B (0.32) | — | |
| SCHEMBL24239822 | 0.75 | — | — | |
| SCHEMBL19254506 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL24783699 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL21870645 | 0.67 | — | — | |
| SCHEMBL14086335 | 0.65 | — | — | |
| SCHEMBL21504756 | 0.64 | LMNA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021252678-A1 | HETEROARYL ALKYLENE SUBSTITUTED 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2021-12-16 | — | — | WO | disclosed |
| EP-3080087-B1 | N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORP (US) | 2019-05-22 | — | — | EP | disclosed |