⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL465127 | 0.74 | — | — | |
| SCHEMBL15314905 | 0.67 | — | — | |
| SCHEMBL17445935 | 0.65 | — | — | |
| SCHEMBL7980171 | 0.64 | FOLH1 (0.30) | — | |
| SCHEMBL29194792 | 0.64 | — | — | |
| SCHEMBL375280 | 0.63 | — | — | |
| SCHEMBL1816618 | 0.63 | — | — | |
| SCHEMBL3294053 | 0.61 | NPSR1 (0.32) | — | |
| SCHEMBL29117296 | 0.61 | — | — | |
| SCHEMBL375462 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016011131-A1 | SILICONE LIGANDS FOR QUANTUM DOTS | FURUTA PAUL T (US) | 2016-01-21 | — | — | WO | disclosed |