⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5712177 | 0.85 | — | — | |
| SCHEMBL12219493 | 0.78 | — | — | |
| SCHEMBL9452628 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL8064711 | 0.76 | — | — | |
| SCHEMBL9323539 | 0.75 | — | — | |
| SCHEMBL11205067 | 0.73 | — | — | |
| SCHEMBL2020575 | 0.73 | — | — | |
| SCHEMBL11859017 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL10895888 | 0.73 | — | — | |
| SCHEMBL4363720 | 0.73 | TSHR (0.35) | — |
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-106478425-B | A kind of 2- methyl-1, the preparation method of 2- propane diamine and its salt | 盐城师范学院 | 2019-04-02 | — | — | CN | disclosed |
| CN-106478425-A | A kind of 2 methyl 1,2 propane diamine and its preparation method of salt | 盐城师范学院 | 2017-03-08 | — | — | CN | disclosed |