⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20326367 | 0.87 | LMNA (0.33) | — | |
| SCHEMBL20314961 | 0.85 | CHRNB2 (0.33) | — | |
| SCHEMBL19010113 | 0.83 | CHRNB2 (0.32) | — | |
| SCHEMBL20314949 | 0.82 | — | — | |
| SCHEMBL20315045 | 0.82 | — | — | |
| SCHEMBL20327092 | 0.81 | CTSK (0.31) | — | |
| SCHEMBL20314952 | 0.80 | CHRNB2 (0.31) | — | |
| SCHEMBL24448622 | 0.79 | CHRNB2 (0.31) | — | |
| SCHEMBL23841758 | 0.78 | — | — | |
| SCHEMBL20314918 | 0.76 | CHRNB2 (0.31) | — |
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-20180177767-A1 | KRAS G12C INHIBITORS AND METHODS OF USING THE SAME | AMGEN INC. (US) | 2018-06-28 | — | — | US | disclosed |