⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7253013 | 0.78 | ADRA1A (0.35) | — | |
| SCHEMBL5889469 | 0.57 | RPS6KA2 (0.41) | — | |
| SCHEMBL16316875 | 0.57 | ADRA2A (0.34) | — | |
| SCHEMBL5889538 | 0.55 | RAB9A (0.39) | — | |
| SCHEMBL5889544 | 0.54 | NAMPT (0.36) | — | |
| SCHEMBL6823635 | 0.54 | LMNA (0.46) | — | |
| SCHEMBL5889466 | 0.52 | HTT (0.39) | — | |
| SCHEMBL16316845 | 0.51 | NOS3 (0.32) | — | |
| SCHEMBL8144755 | 0.51 | NOS3 (0.40) | — | |
| SCHEMBL9724806 | 0.51 | NOS3 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002000650-A9 | NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY | GENELABS TECH INC (US) | 2003-03-06 | — | — | WO | disclosed |