⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20604365 | 1.00 | — | — | |
| SCHEMBL20604321 | 0.87 | ITGB3 (0.33) | — | |
| SCHEMBL20604513 | 0.87 | ITGB3 (0.33) | — | |
| SCHEMBL20604284 | 0.84 | ITGB3 (0.30) | — | |
| SCHEMBL20604396 | 0.84 | ITGB3 (0.30) | — | |
| SCHEMBL20604287 | 0.84 | ITGB3 (0.30) | — | |
| SCHEMBL20629839 | 0.84 | — | — | |
| SCHEMBL21950774 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL20630197 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL21952987 | 0.76 | TSHR (0.32) | — |
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-20190338050-A1 | PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME | CHUGAI SEIYAKU KABUSHIKI8 KAISHA (JP) | 2019-11-07 | — | — | US | disclosed |
| EP-3424941-A1 | PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME | Chugai Seiyaku Kabushiki Kaisha (JP) | 2019-01-09 | — | — | EP | disclosed |
| EP-3424941-A1 | PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME | Chugai Seiyaku Kabushiki Kaisha (JP) | 2019-01-09 | — | — | EP | disclosed |