⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3902089 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL3900430 | 0.73 | THRB (0.35) | — | |
| SCHEMBL3900657 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL3902083 | 0.70 | PABPC1 (0.33) | — | |
| SCHEMBL3898401 | 0.70 | ADORA2A (0.41) | — | |
| SCHEMBL3902023 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL3902622 | 0.66 | MEN1 (0.44) | — | |
| SCHEMBL3902705 | 0.65 | ADORA2A (0.60) | — | |
| SCHEMBL4759076 | 0.65 | TERT (0.31) | — | |
| SCHEMBL4758333 | 0.65 | TERT (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383463-A4 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE | KING PHARMACEUTICALS INC (US) | 2009-03-25 | — | — | EP | disclosed |
| EP-1383463-A2 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE | King Pharmaceuticals, Inc. (US) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002083083-A2 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE | KING PHARMACEUTICALS, INC. (US) | 2002-10-24 | — | — | WO | disclosed |