⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18571314 | 0.80 | — | — | |
| SCHEMBL8051949 | 0.79 | — | — | |
| SCHEMBL8388179 | 0.75 | ALOX15 (0.44) | — | |
| SCHEMBL109608 | 0.75 | — | — | |
| SCHEMBL18602414 | 0.74 | — | — | |
| SCHEMBL1660268 | 0.73 | — | — | |
| SCHEMBL10366803 | 0.71 | — | — | |
| SCHEMBL8652860 | 0.71 | — | — | |
| SCHEMBL10400776 | 0.71 | — | — | |
| SCHEMBL8391852 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017199046-A1 | CONJUGATES AND CONJUGATING REAGENTS | POLYTHERICS LIMITED (GB) | 2017-11-23 | — | — | WO | disclosed |