⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5494842 | 0.76 | ARG1 (0.33) | — | |
| SCHEMBL7589446 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL27573161 | 0.67 | — | — | |
| Piperazine SCHEMBL30007068 | 0.62 | LMNA (0.62) | — | |
| Piperazine SCHEMBL28153791 | 0.62 | LMNA (0.62) | — | |
| SCHEMBL24471489 | 0.62 | — | — | |
| Acrylic Acid SCHEMBL9592581 | 0.60 | — | — | |
| Potassium SCHEMBL31405453 | 0.60 | FFAR3 (0.32) | — | |
| Acrylic Acid SCHEMBL11118606 | 0.59 | LMNA (0.56) | — | |
| Fumaric Acid SCHEMBL21436601 | 0.59 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11905281-B2 | KRAS G12C inhibitors and methods of using the same | AMGEN INC. (US) | 2024-02-20 | — | — | US | disclosed |