⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18322988 | 1.00 | — | — | |
| SCHEMBL31184216 | 0.86 | GPR119 (0.39) | — | |
| SCHEMBL20337394 | 0.86 | GPR119 (0.39) | — | |
| SCHEMBL23826992 | 0.77 | — | — | |
| SCHEMBL23826837 | 0.77 | — | — | |
| SCHEMBL18319616 | 0.74 | — | — | |
| SCHEMBL18319615 | 0.74 | — | — | |
| SCHEMBL28900028 | 0.72 | — | — | |
| SCHEMBL5895182 | 0.70 | CRBN (0.32) | — | |
| SCHEMBL19641150 | 0.67 | AVPR1A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3310771-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | Novartis AG (CH) | 2018-04-25 | — | — | EP | disclosed |
| WO-2016203405-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2016-12-22 | — | — | WO | disclosed |