⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL337863 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL688569 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL929304 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL6501758 | 0.75 | — | — | |
| SCHEMBL689240 | 0.75 | DGKA (0.42) | — | |
| SCHEMBL16429438 | 0.75 | DGKA (0.42) | — | |
| SCHEMBL718866 | 0.75 | DGKA (0.42) | — | |
| Alcohol SCHEMBL9753728 | 0.75 | ALDH1A1 (0.55) | — | |
| SCHEMBL2824852 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL28645471 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101553571-B | Synthesis of initiator type monomers and hyperbranched polymers | UNIV AKRON | 2014-01-15 | — | — | CN | claimed |
| CN-104968324-A | Dermal compositions containing unnatural hygroscopic amino acids | MEDPHARM LTD | 2015-10-07 | — | — | CN | disclosed |
| CN-101553571-B | Synthesis of initiator type monomers and hyperbranched polymers | UNIV AKRON | 2014-01-15 | — | — | CN | disclosed |