⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2735994 | 0.72 | — | — | |
| SCHEMBL27293186 | 0.67 | — | — | |
| SCHEMBL25338486 | 0.64 | TSHR (0.36) | — | |
| SCHEMBL27713808 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL27713829 | 0.63 | SLC18A3 (0.34) | — | |
| SCHEMBL28810749 | 0.61 | CDK5 (0.33) | — | |
| SCHEMBL153943 | 0.61 | TSHR (0.67) | — | |
| SCHEMBL11548693 | 0.59 | TSHR (0.46) | — | |
| Bromide SCHEMBL7630752 | 0.58 | TSHR (0.62) | — | |
| Hydrochloric Acid SCHEMBL2801770 | 0.58 | TSHR (0.62) | — |
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-106083993-B | Parents' polypeptide amine dendrimer and preparation method thereof | 上海大学 | 2019-08-06 | — | — | CN | disclosed |
| CN-106083993-A | Parents' polypeptide amine dendrimer and preparation method thereof | 上海大学 | 2016-11-09 | — | — | CN | disclosed |