⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28501696 | 1.00 | — | — | |
| SCHEMBL23841610 | 0.91 | — | — | |
| SCHEMBL23275954 | 0.84 | ADRB1 (0.32) | — | |
| SCHEMBL28496970 | 0.81 | STK3 (0.31) | — | |
| SCHEMBL19964148 | 0.81 | KRAS (0.35) | — | |
| SCHEMBL29116617 | 0.80 | KRAS (0.31) | — | |
| SCHEMBL28500433 | 0.80 | KRAS (0.31) | — | |
| SCHEMBL23075033 | 0.78 | C5AR1 (0.42) | — | |
| SCHEMBL23074821 | 0.78 | C5AR1 (0.42) | — | |
| SCHEMBL23074902 | 0.78 | C5AR1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111989321-A | KRAS G12C inhibitors | 米拉蒂治疗股份有限公司 | 2020-11-24 | — | — | CN | disclosed |