⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23288626 | 0.75 | NPSR1 (0.30) | — | |
| SCHEMBL24195804 | 0.69 | — | — | |
| SCHEMBL23288612 | 0.63 | — | — | |
| SCHEMBL18757383 | 0.56 | CHRNB2 (0.40) | — | |
| SCHEMBL24181925 | 0.56 | — | — | |
| SCHEMBL20007956 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL24187935 | 0.56 | — | — | |
| SCHEMBL23486462 | 0.55 | — | — | |
| SCHEMBL24181681 | 0.55 | — | — | |
| Isopropyl Alcohol SCHEMBL1280109 | 0.54 | ALDH1A1 (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-2022006780-A1 | MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2022-01-13 | — | — | WO | disclosed |
| WO-2022007502-A1 | MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING SHP2 | NOVARTIS AG (CH) | 2022-01-13 | — | — | WO | disclosed |