⚠ 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL27891069 | 0.85 | TP53 (0.44) | — | |
| Propylamine SCHEMBL11184685 | 0.85 | — | — | |
| Propylamine SCHEMBL28010271 | 0.83 | — | — | |
| Propylamine SCHEMBL1193755 | 0.83 | — | — | |
| Propylamine SCHEMBL17077494 | 0.83 | DNM1 (0.47) | — | |
| Propylamine SCHEMBL2592756 | 0.83 | — | — | |
| Propylamine SCHEMBL28010272 | 0.83 | DNM1 (0.47) | — | |
| Propylamine SCHEMBL27499864 | 0.83 | — | — | |
| Propionitrile SCHEMBL11191942 | 0.81 | — | — | |
| Propylamine SCHEMBL9666785 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003069-A | A kind of selenium-containing compound and application thereof | 深圳福山生物科技有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-105503613-B | A kind of method that direct ammonification of polyol prepares polyamine | 中国科学院大连化学物理研究所 | 2018-06-26 | — | — | CN | disclosed |
| CN-104725389-B | SsnB derivant and its production and use | 中国科学院成都生物研究所 | 2017-03-01 | — | — | CN | disclosed |
| CN-105503613-A | Method for preparing polyamine by direct ammoniation of polyhydroxy compound | DALIAN INST CHEMICAL PHYSICS CAS | 2016-04-20 | — | — | CN | disclosed |
| CN-104725389-A | Sparganiaceae lactone B derivative as well as preparation method and use thereof | CHENGDU INST BIOLOGY CAS | 2015-06-24 | — | — | CN | disclosed |