⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4257430 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL10339403 | 0.74 | — | — | |
| SCHEMBL8380643 | 0.70 | DNM1 (0.39) | — | |
| SCHEMBL28973334 | 0.70 | TSHR (0.38) | — | |
| SCHEMBL8381370 | 0.69 | OPRM1 (0.42) | — | |
| SCHEMBL11492874 | 0.68 | TSHR (0.55) | — | |
| SCHEMBL2118847 | 0.67 | — | — | |
| SCHEMBL7136058 | 0.67 | LMNA (0.48) | — | |
| SCHEMBL8028653 | 0.67 | — | — | |
| SCHEMBL1683581 | 0.67 | LMNA (0.42) | — |
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-105622435-B | Bipolar membrane device for preparing amino-1-propanol | 建德蓝忻环境科技有限公司 | 2017-05-17 | — | — | CN | disclosed |
| CN-205676398-U | A kind of bipolar membrane device preparing aminopropanol | 建德蓝忻环境科技有限公司 | 2016-11-09 | — | — | CN | disclosed |