⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2725240 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL10618987 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL54890 | 0.76 | CYP2D6 (0.31) | — | |
| SCHEMBL10610686 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL4312348 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL6419511 | 0.72 | — | — | |
| SCHEMBL10607358 | 0.70 | — | — | |
| SCHEMBL8937176 | 0.70 | SLC7A5 (0.34) | — | |
| SCHEMBL10530850 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL10608003 | 0.70 | SLC7A5 (0.34) | — |
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-6031074-A | Automated Peptide design and synthesis | NATIONAL INSTITUTES OF HEALTH (US) | 2000-02-29 | — | — | US | disclosed |
| WO-1991002714-A1 | AUTOMATED PEPTIDE DESIGN AND SYNTHESIS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) | 1991-03-07 | — | — | WO | disclosed |