⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4415218 | 0.87 | — | — | |
| SCHEMBL4414561 | 0.80 | — | — | |
| SCHEMBL28670997 | 0.73 | TDP1 (0.38) | — | |
| SCHEMBL28670999 | 0.73 | CTSK (0.33) | — | |
| SCHEMBL28673859 | 0.71 | CTSK (0.33) | — | |
| SCHEMBL17546646 | 0.71 | CTSK (0.34) | — | |
| SCHEMBL16709983 | 0.71 | MAOA (0.34) | — | |
| SCHEMBL7231650 | 0.70 | NEU2 (0.32) | — | |
| SCHEMBL4414950 | 0.70 | BTK (0.34) | — | |
| SCHEMBL6761728 | 0.70 | KDM1A (0.40) | — |
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-1040094-A4 | SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS | BIOCRYST PHARM INC (US) | 2004-12-08 | — | — | EP | disclosed |
| EP-1040094-A1 | SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS | BIOCRYST PHARMACEUTICALS INC. (US) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999033781-A1 | SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 1999-07-08 | — | — | WO | disclosed |