⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8076684 | 0.77 | — | — | |
| SCHEMBL2363567 | 0.75 | — | — | |
| SCHEMBL729438 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL577776 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL7119961 | 0.73 | — | — | |
| SCHEMBL2891020 | 0.71 | — | — | |
| SCHEMBL6437610 | 0.71 | — | — | |
| SCHEMBL243711 | 0.71 | — | — | |
| SCHEMBL3048099 | 0.71 | — | — | |
| SCHEMBL1546021 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105288648-B | A kind of phosphatide cpd of hydrophilic medicament, its pharmaceutical composition and application | 东南大学 | 2018-11-06 | — | — | CN | disclosed |
| CN-105026512-B | Composition comprising water-repelling agent and stabilizer with and production and preparation method thereof | 佐治亚-太平洋化工品有限公司 | 2017-09-22 | — | — | CN | disclosed |
| CN-105131039-B | A kind of camptothecin phosphatide cpd, its pharmaceutical composition and application | 东南大学 | 2017-09-15 | — | — | CN | disclosed |
| US-20130115625-A1 | NOVEL PROTEIN AND USE THEREOF | RIKEN (JP) | 2013-05-09 | — | — | US | disclosed |