⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL925414 | 0.78 | — | — | |
| SCHEMBL925703 | 0.78 | — | — | |
| SCHEMBL17758151 | 0.75 | — | — | |
| SCHEMBL3393315 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1880943 | 0.75 | — | — | |
| SCHEMBL13893216 | 0.75 | — | — | |
| SCHEMBL8411582 | 0.75 | — | — | |
| SCHEMBL6544966 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3896194 | 0.75 | — | — | |
| SCHEMBL1552789 | 0.73 | — | — |
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-103228612-A | Process for homogeneously catalyzed, highly selective direct amination of primary alcohols with ammonia to primary amines with a high volume ratio of liquid phase to gas phase and/or high pressures | EVONIK DEGUSSA GMBH | 2013-07-31 | — | — | CN | disclosed |