⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8726034 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL15641386 | 0.71 | — | — | |
| SCHEMBL21169793 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL13829771 | 0.69 | ANPEP (0.39) | — | |
| SCHEMBL16731370 | 0.69 | — | — | |
| SCHEMBL891293 | 0.69 | — | — | |
| SCHEMBL15275825 | 0.69 | — | — | |
| SCHEMBL22170053 | 0.69 | — | — | |
| SCHEMBL17464613 | 0.69 | — | — | |
| Formaldehyde SCHEMBL10947536 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2292589-A1 | Novel multifunctional peptidase inhibitors, especially for medical use | IMTM GmbH (DE) | 2011-03-09 | — | — | EP | disclosed |