⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10074902 | 0.66 | — | — | |
| SCHEMBL29520305 | 0.64 | — | — | |
| SCHEMBL12946107 | 0.55 | — | — | |
| SCHEMBL1922094 | 0.53 | — | — | |
| SCHEMBL11723833 | 0.53 | — | — | |
| SCHEMBL8227664 | 0.53 | — | — | |
| SCHEMBL18279921 | 0.51 | TSHR (0.58) | — | |
| SCHEMBL13950863 | 0.51 | CYP2D6 (0.39) | — | |
| SCHEMBL1921065 | 0.50 | LMNA (0.31) | — | |
| SCHEMBL9156566 | 0.49 | GGPS1 (0.38) | — |
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-20120071448-A1 | S1P3 Receptor Inhibitors for Treating Conditions of the Eye | ALLERGAN, INC. (US) | 2012-03-22 | — | — | US | disclosed |