⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL198888 | 0.69 | — | — | |
| SCHEMBL3937393 | 0.69 | — | — | |
| SCHEMBL12361598 | 0.69 | — | — | |
| SCHEMBL40685 | 0.67 | — | — | |
| SCHEMBL8472079 | 0.67 | — | — | |
| SCHEMBL1016661 | 0.67 | — | — | |
| SCHEMBL4622810 | 0.67 | — | — | |
| SCHEMBL14223392 | 0.67 | — | — | |
| SCHEMBL7405815 | 0.67 | — | — | |
| SCHEMBL16236293 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210115087-A1 | CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS | UNIV ROCHESTER (US) | 2021-04-22 | — | — | US | disclosed |
| US-20190241615-A1 | CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS | UNIVERSITY OF ROCHESTER | 2019-08-08 | — | — | US | disclosed |
| EP-3475294-A1 | CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS | The University of Rochester (US) | 2019-05-01 | — | — | EP | disclosed |
| WO-2017223207-A1 | CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS | UNIVERSITY OF ROCHESTER (US) | 2017-12-28 | — | — | WO | disclosed |