⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1959578 | 0.94 | — | — | |
| Butadiene SCHEMBL28277822 | 0.91 | — | — | |
| Diphenylether SCHEMBL29240231 | 0.90 | LTA4H (0.39) | — | |
| SCHEMBL28147044 | 0.86 | — | — | |
| SCHEMBL28145799 | 0.84 | — | — | |
| SCHEMBL28229180 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL27884938 | 0.81 | — | — | |
| SCHEMBL14830580 | 0.79 | — | — | |
| SCHEMBL9721249 | 0.79 | — | — | |
| Toluene SCHEMBL28899269 | 0.76 | LMNA (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100409866-C | Chinese herbal medicine composition and preparing method | JIANGSU KANION PHARMACEUTICAL (CN) | 2008-08-13 | — | — | CN | claimed |