⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23268356 | 0.63 | PTPN11 (0.34) | — | |
| SCHEMBL8780635 | 0.61 | — | — | |
| SCHEMBL8222036 | 0.61 | — | — | |
| SCHEMBL16984325 | 0.61 | — | — | |
| SCHEMBL8583510 | 0.60 | — | — | |
| SCHEMBL18733576 | 0.59 | — | — | |
| SCHEMBL576736 | 0.59 | — | — | |
| SCHEMBL22380600 | 0.59 | — | — | |
| SCHEMBL31699774 | 0.57 | HTR2C (0.31) | — | |
| SCHEMBL18862747 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3772513-A1 | SHP2 INHIBITORS | C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) | 2021-02-10 | — | — | EP | disclosed |