⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19487354 | 1.00 | — | — | |
| SCHEMBL8164719 | 1.00 | — | — | |
| SCHEMBL17948523 | 0.87 | CA12 (0.37) | — | |
| SCHEMBL14177531 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL13475045 | 0.84 | CA12 (0.39) | — | |
| SCHEMBL12590416 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL23177679 | 0.84 | — | — | |
| SCHEMBL13599974 | 0.84 | — | — | |
| SCHEMBL14224834 | 0.83 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL12155238 | 0.83 | SMN1; SMN2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170312363-A1 | MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR | XIAMEN SINOPEG BIOTECH CO., LTD. (CN) | 2017-11-02 | — | — | US | disclosed |
| US-8263040-B2 | contrast agents for necrosis imaging, diagnosis of changes in the lymphatic system, inflammatory diseases, cardiovascular diseases, tumour imaging; radioactive materials use in radiotherapy | BAYER SCHERING PHARMA AG (DE) | 2012-09-11 | — | — | US | disclosed |
| US-20080159954-A1 | METAL CHELATES HAVING A PERFLUORINATED PEG RADICAL, PROCESSES FOR THEIR PREPARATION, AND THEIR USE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2008-07-03 | — | — | US | disclosed |