⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5729041 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL3099773 | 0.63 | — | — | |
| SCHEMBL4698483 | 0.59 | — | — | |
| SCHEMBL28045655 | 0.58 | — | — | |
| SCHEMBL16962385 | 0.57 | — | — | |
| SCHEMBL2071507 | 0.56 | — | — | |
| SCHEMBL8714139 | 0.54 | KDM4E (0.31) | — | |
| SCHEMBL9541160 | 0.54 | MAPT (0.55) | — | |
| SCHEMBL40376 | 0.54 | TSHR (0.35) | — | |
| SCHEMBL5729552 | 0.54 | NPC1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100256048-A1 | POLYPEPTIDE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2010-10-07 | — | — | US | disclosed |
| EP-2204379-A1 | POLYPEPTIDE COMPOUND | Astellas Pharma Inc. (JP) | 2010-07-07 | — | — | EP | disclosed |