⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17524661 | 0.92 | — | — | |
| SCHEMBL17518314 | 0.87 | — | — | |
| SCHEMBL17518377 | 0.84 | DPP4 (0.30) | — | |
| SCHEMBL17087557 | 0.84 | L3MBTL1 (0.31) | — | |
| SCHEMBL17518388 | 0.80 | L3MBTL1 (0.46) | — | |
| SCHEMBL17087405 | 0.79 | — | — | |
| SCHEMBL17087480 | 0.78 | PAOX (0.37) | — | |
| SCHEMBL17518309 | 0.78 | L3MBTL1 (0.49) | — | |
| SCHEMBL17518369 | 0.77 | POLB (0.31) | — | |
| SCHEMBL17518363 | 0.76 | DPP4 (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 |
|---|---|---|---|---|---|---|---|
| US-20160039880-A1 | CYCLOSPORIN A ANALOGS | ALLERGAN, INC. | 2016-02-11 | — | — | US | disclosed |