⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL137071 | 0.72 | — | — | |
| Dimethylamine SCHEMBL137069 | 0.72 | — | — | |
| SCHEMBL27529682 | 0.71 | — | — | |
| SCHEMBL688736 | 0.67 | — | — | |
| SCHEMBL41154 | 0.67 | — | — | |
| SCHEMBL28033671 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL7530432 | 0.64 | — | — | |
| SCHEMBL11216547 | 0.64 | — | — | |
| Dimethylamine SCHEMBL28870842 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL6435425 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5550311-A | WATER POLLUTION CONTROL | HPR CORPORATION (US) | 1996-08-27 | — | — | US | disclosed |
| WO-1996024558-A1 | METHOD AND APPARATUS FOR THERMAL DECOMPOSITION AND SEPARATION OF COMPONENTS WITHIN AN AQUEOUS STREAM | HPR CORPORATION (US) | 1996-08-15 | — | — | WO | disclosed |