⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10257215 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL9361949 | 0.74 | CES2 (0.39) | — | |
| SCHEMBL27720429 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL27859662 | 0.71 | BACE1 (0.34) | — | |
| SCHEMBL1785180 | 0.69 | PTGS2 (0.41) | — | |
| SCHEMBL28583380 | 0.69 | LMNA (0.40) | — | |
| SCHEMBL23206105 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL807530 | 0.68 | CYP3A4 (0.42) | — | |
| SCHEMBL10927172 | 0.67 | — | — | |
| SCHEMBL10270727 | 0.67 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8263776-B2 | Inhibitors of c-Met protein kinase | VERTEX PHARMACEUTICALS INCORPORATED | 2012-09-11 | — | — | US | disclosed |
| US-20100305156-A1 | INHIBITORS OF C-MET PROTEIN KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-02 | — | — | US | disclosed |