⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28247693 | 0.87 | — | — | |
| SCHEMBL28821523 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL27960566 | 0.83 | — | — | |
| SCHEMBL27890437 | 0.82 | — | — | |
| SCHEMBL7256778 | 0.81 | — | — | |
| SCHEMBL28040679 | 0.81 | — | — | |
| SCHEMBL27874172 | 0.80 | — | — | |
| SCHEMBL27819207 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL27614328 | 0.76 | — | — | |
| SCHEMBL7996476 | 0.76 | ALDH1A1 (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-108779124-A | Gold porphyrin-PEG conjugates and methods of use | 香港大学 | 2018-11-09 | — | — | CN | disclosed |
| CN-105503885-A | Novel NMOFs(IRMOF-3) drug carrier and preparation method thereof | UNIV TIANJIN POLYTECHNIC | 2016-04-20 | — | — | CN | disclosed |
| CN-105348292-A | Novel NMOFs (PMIL-101(Fe)) drug carrier and preparation method thereof | UNIV TIANJIN POLYTECHNIC | 2016-02-24 | — | — | CN | disclosed |