⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20334416 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL20327092 | 0.87 | CTSK (0.31) | — | |
| SCHEMBL20326205 | 0.86 | MEN1 (0.30) | — | |
| SCHEMBL21794887 | 0.83 | — | — | |
| SCHEMBL20334401 | 0.77 | MEN1 (0.38) | — | |
| SCHEMBL20314934 | 0.76 | CTSK (0.34) | — | |
| SCHEMBL20326229 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL23735816 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL20334575 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL20326290 | 0.74 | MEN1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220168280-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. | 2022-06-02 | — | — | US | disclosed |
| EP-3558955-B1 | BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER | AMGEN INC (US) | 2021-08-11 | — | — | EP | disclosed |