⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18596896 | 1.00 | — | — | |
| SCHEMBL24894711 | 1.00 | — | — | |
| SCHEMBL30952491 | 0.80 | — | — | |
| SCHEMBL30977077 | 0.80 | — | — | |
| SCHEMBL27379452 | 0.80 | — | — | |
| SCHEMBL24894683 | 0.80 | — | — | |
| SCHEMBL24894703 | 0.80 | — | — | |
| SCHEMBL24894685 | 0.80 | — | — | |
| SCHEMBL30977084 | 0.80 | — | — | |
| SCHEMBL27379560 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024091409-A1 | TRICYCLIC DERIVATIVES AS KRAS INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2024-05-02 | — | — | WO | disclosed |
| WO-2023284730-A1 | ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |