⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170121 | 0.95 | — | — | |
| SCHEMBL1902721 | 0.90 | — | — | |
| Ethylene SCHEMBL29176430 | 0.86 | — | — | |
| SCHEMBL6171058 | 0.64 | — | — | |
| SCHEMBL9680151 | 0.64 | — | — | |
| SCHEMBL3292582 | 0.63 | — | — | |
| SCHEMBL249310 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL132075 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL27609915 | 0.60 | — | — | |
| Nitrous Acid SCHEMBL11883017 | 0.60 | CA1 (0.86) | — |
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-2010037402-A1 | MOLECULAR VACCINES FOR INFECTIOUS DISEASE | DAKO DENMARK A/S (DK) | 2010-04-08 | — | — | WO | disclosed |