⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24188069 | 0.77 | — | — | |
| SCHEMBL8623170 | 0.72 | — | — | |
| SCHEMBL23288612 | 0.71 | — | — | |
| SCHEMBL18023108 | 0.68 | — | — | |
| SCHEMBL1129493 | 0.66 | USP2 (0.33) | — | |
| SCHEMBL21287215 | 0.65 | — | — | |
| SCHEMBL16112710 | 0.63 | EPHX1 (0.33) | — | |
| SCHEMBL13404962 | 0.61 | — | — | |
| SCHEMBL16424464 | 0.61 | — | — | |
| SCHEMBL12535978 | 0.60 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022007502-A1 | MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING SHP2 | NOVARTIS AG (CH) | 2022-01-13 | — | — | WO | disclosed |
| WO-2021078120-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | NOVARTIS AG (CH) | 2021-04-29 | — | — | WO | disclosed |