⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9901640 | 0.86 | — | — | |
| SCHEMBL987315 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL27266190 | 0.79 | CYP2D6 (0.32) | — | |
| SCHEMBL21086902 | 0.79 | — | — | |
| SCHEMBL12481976 | 0.72 | — | — | |
| SCHEMBL21415395 | 0.72 | — | — | |
| SCHEMBL27429506 | 0.72 | — | — | |
| SCHEMBL16710729 | 0.70 | — | — | |
| SCHEMBL24616676 | 0.70 | FDPS (0.30) | — | |
| SCHEMBL7187130 | 0.69 | — | — |
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-9382540-B2 | Compositions and methods for modulating angiopoietin-like 3 expression | ISIS PHARMACEUTICALS, INC (US) | 2016-07-05 | — | — | US | disclosed |