⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20314968 | 0.77 | — | — | |
| SCHEMBL20161741 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL24035086 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL21725612 | 0.68 | — | — | |
| SCHEMBL25090320 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL24091632 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL20314975 | 0.67 | TEAD1 (0.36) | — | |
| SCHEMBL20205750 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL23735852 | 0.64 | — | — | |
| SCHEMBL24322203 | 0.63 | TSHR (0.30) | — |
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-2018119183-A2 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. (US) | 2018-06-28 | — | — | WO | disclosed |