⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16189170 | 0.70 | — | — | |
| SCHEMBL11172373 | 0.65 | — | — | |
| SCHEMBL21477482 | 0.61 | — | — | |
| SCHEMBL8417041 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL28414925 | 0.53 | — | — | |
| SCHEMBL1053856 | 0.50 | — | — | |
| Ammonia Solution, Strong SCHEMBL4807364 | 0.50 | ALDH1A1 (0.61) | — | |
| SCHEMBL5480274 | 0.50 | — | — | |
| Ammonia Solution, Strong SCHEMBL27878149 | 0.50 | ALDH1A1 (0.61) | — | |
| P-Xylene SCHEMBL180004 | 0.50 | ACHE (0.89) | — |
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-2002006449-A2 | METHOD OF DETECTING COMPOUNDS THAT CONTROL FUNGAL DISEASES VIA EFFECTS ON SPORULATION | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-24 | — | — | WO | disclosed |