⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3822372 | 0.72 | — | — | |
| SCHEMBL6893027 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8740598 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL462349 | 0.63 | — | — | |
| SCHEMBL8250470 | 0.63 | — | — | |
| Trichloroacetic Acid SCHEMBL28064808 | 0.61 | ALDH1A1 (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL8846170 | 0.59 | — | — | |
| SCHEMBL17075272 | 0.57 | ALDH1A1 (0.35) | — | |
| SCHEMBL121989 | 0.57 | — | — | |
| SCHEMBL29915689 | 0.52 | ALDH1A1 (0.44) | — |
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-2020146613-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2020-07-16 | — | — | WO | disclosed |