⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1681468 | 0.67 | — | — | |
| SCHEMBL3248407 | 0.65 | — | — | |
| SCHEMBL28409060 | 0.60 | — | — | |
| SCHEMBL14980813 | 0.59 | — | — | |
| SCHEMBL17179923 | 0.55 | — | — | |
| SCHEMBL28418978 | 0.55 | — | — | |
| SCHEMBL5831867 | 0.55 | — | — | |
| SCHEMBL1356603 | 0.55 | — | — | |
| SCHEMBL5027469 | 0.54 | — | — | |
| SCHEMBL2304474 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104974045-B | A kind of method for preparing aminated compounds | 岳阳昌德化工实业有限公司 | 2018-03-20 | — | — | CN | disclosed |
| CN-104974045-A | Method for preparing amine compound | Yueyang changde chemical industry co ltd | 2015-10-14 | — | — | CN | disclosed |