⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5083187 | 0.87 | CNR2 (0.30) | — | |
| SCHEMBL5083175 | 0.86 | PPARG (0.31) | — | |
| SCHEMBL5083208 | 0.83 | KCNN4 (0.31) | — | |
| SCHEMBL5087247 | 0.82 | ADRA2A (0.30) | — | |
| SCHEMBL5081008 | 0.73 | KDM4E (0.40) | — | |
| SCHEMBL4724808 | 0.72 | APP (0.46) | — | |
| SCHEMBL4721568 | 0.71 | PDE5A (0.41) | — | |
| SCHEMBL4723561 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL5087245 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL4723651 | 0.70 | CYP1A2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7375081-B2 | Therapeutic combination of a pneumocandin derivative and an antifungal agent | ASTELLAS PHARMA INC. (JP) | 2008-05-20 | — | — | US | claimed |