⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5183310 | 1.00 | — | — | |
| SCHEMBL308124 | 0.84 | RNPEP (0.31) | — | |
| SCHEMBL308123 | 0.84 | RNPEP (0.31) | — | |
| SCHEMBL1067580 | 0.82 | — | — | |
| SCHEMBL1067579 | 0.82 | — | — | |
| SCHEMBL1067524 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL1068010 | 0.68 | RIPK1 (0.47) | — | |
| SCHEMBL15955974 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL22721183 | 0.65 | — | — | |
| SCHEMBL27848620 | 0.63 | RNPEP (0.33) | — |
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-1801097-A1 | Photocrosslinkable materials | Rolic AG (CH) | 2007-06-27 | — | — | EP | disclosed |