⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7799754 | 0.86 | ALDH1A1 (0.52) | — | |
| SCHEMBL3107600 | 0.83 | ALDH1A1 (0.48) | — | |
| SCHEMBL3328089 | 0.78 | — | — | |
| SCHEMBL3328096 | 0.78 | — | — | |
| SCHEMBL12341097 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL9452676 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL17335808 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL265274 | 0.76 | — | — | |
| SCHEMBL264872 | 0.74 | — | — | |
| SCHEMBL6379592 | 0.73 | — | — |
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 |