⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5798961 | 0.65 | — | — | |
| SCHEMBL5168688 | 0.63 | — | — | |
| SCHEMBL7499370 | 0.62 | — | — | |
| SCHEMBL5746869 | 0.59 | MEN1 (0.32) | — | |
| SCHEMBL2191125 | 0.57 | — | — | |
| SCHEMBL5166138 | 0.57 | — | — | |
| SCHEMBL6138482 | 0.57 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL34145 | 0.57 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL29665840 | 0.57 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL27317753 | 0.57 | TDP1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10131908-B2 | 5′ phosphate mimics | ALNYLAM PHARMACEUTICALS, INC. (US) | 2018-11-20 | — | — | US | disclosed |
| US-20150080457-A1 | 5' PHOSPHATE MIMICS | BANK OF AMERICA, N.A. | 2015-03-19 | — | — | US | disclosed |
| 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 |