⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16248687 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL16248659 | 0.83 | — | — | |
| SCHEMBL16575292 | 0.81 | — | — | |
| SCHEMBL16299501 | 0.78 | — | — | |
| SCHEMBL18291793 | 0.72 | — | — | |
| SCHEMBL16579313 | 0.71 | P2RY14 (0.32) | — | |
| SCHEMBL16692083 | 0.70 | — | — | |
| SCHEMBL23772196 | 0.69 | — | — | |
| SCHEMBL11237347 | 0.68 | — | — | |
| SCHEMBL18291794 | 0.67 | BTN3A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8927513-B2 | 5′ phosphate mimics | ALNYLAM PHARMACEUTICALS, INC. (US) | 2015-01-06 | — | — | US | disclosed |
| US-20120157511-A1 | 5' PHOSPHATE MIMICS | ALNYLAM PHARMACEUTICALS, INC. (US) | 2012-06-21 | — | — | US | disclosed |