⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10605413 | 0.84 | TSHR (0.43) | — | |
| SCHEMBL8547559 | 0.81 | — | — | |
| SCHEMBL8173206 | 0.81 | — | — | |
| SCHEMBL7365998 | 0.77 | — | — | |
| SCHEMBL16621047 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL16621045 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL25452760 | 0.76 | — | — | |
| SCHEMBL8173490 | 0.75 | — | — | |
| SCHEMBL9052389 | 0.75 | — | — | |
| SCHEMBL16620316 | 0.75 | TSHR (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0741756-A1 | DENDRITIC MACROMOLECULE AND A PROCESS FOR THE PREPARATION THEREOF | DSM N.V. (NL) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995020619-A1 | DENDRITIC MACROMOLECULE AND A PROCESS FOR THE PREPARATION THEREOF | DSM N.V. (NL) | 1995-08-03 | — | — | WO | disclosed |