⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20042464 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL6751422 | 0.69 | — | — | |
| SCHEMBL19255873 | 0.69 | — | — | |
| Bromide SCHEMBL5005912 | 0.68 | — | — | |
| Bromide SCHEMBL27665996 | 0.68 | — | — | |
| SCHEMBL15783791 | 0.67 | MEN1 (0.38) | — | |
| SCHEMBL24372286 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL5005915 | 0.65 | — | — | |
| SCHEMBL16742752 | 0.65 | CHRM2 (0.39) | — | |
| SCHEMBL17369250 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060040909-A1 | Selenophene compounds | DEVELOPMENT CENTER FOR BIOTECHNOLOGY | 2006-02-23 | — | — | US | disclosed |