⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16841465 | 0.76 | — | — | |
| SCHEMBL42968 | 0.58 | GRIN2D (0.33) | — | |
| SCHEMBL3759393 | 0.55 | — | — | |
| SCHEMBL14163137 | 0.55 | — | — | |
| SCHEMBL15904446 | 0.55 | — | — | |
| SCHEMBL18936128 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL4178849 | 0.53 | GRIN2D (0.31) | — | |
| SCHEMBL9481334 | 0.53 | CES2 (0.32) | — | |
| SCHEMBL10954874 | 0.53 | GRIN2D (0.31) | — | |
| SCHEMBL843024 | 0.49 | — | — |
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-2107067-A1 | Boron catalysed peptide synthesis | DSM IP Assets B.V. (NL) | 2009-10-07 | — | — | EP | disclosed |