⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726604 | 0.65 | — | — | |
| SCHEMBL9856293 | 0.65 | — | — | |
| SCHEMBL4277945 | 0.64 | — | — | |
| SCHEMBL5943396 | 0.64 | — | — | |
| SCHEMBL22359058 | 0.64 | — | — | |
| SCHEMBL6385538 | 0.62 | — | — | |
| SCHEMBL25069732 | 0.62 | — | — | |
| SCHEMBL20786841 | 0.61 | — | — | |
| SCHEMBL15423456 | 0.61 | — | — | |
| SCHEMBL13959142 | 0.60 | — | — |
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-20220340576-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2022-10-27 | — | — | US | disclosed |