⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15262563 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL11323559 | 0.79 | — | — | |
| SCHEMBL25497601 | 0.75 | — | — | |
| SCHEMBL10345591 | 0.75 | — | — | |
| SCHEMBL8991504 | 0.75 | — | — | |
| SCHEMBL11789772 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL15262527 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL15904788 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL2351657 | 0.72 | — | — | |
| SCHEMBL675135 | 0.71 | ALDH1A1 (0.32) | — |
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-1392639-A4 | PYRUVATE DERIVATIVES | GALILEO LAB INC (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1392639-A1 | PYRUVATE DERIVATIVES | Galileo Laboratories, Inc. (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002090314-A1 | PYRUVATE DERIVATIVES | GALILEO LABORATORIES, INC. (US) | 2002-11-14 | — | — | WO | disclosed |