⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11856634 | 0.74 | — | — | |
| SCHEMBL18744086 | 0.67 | — | — | |
| SCHEMBL2331084 | 0.65 | CPA1 (0.33) | — | |
| SCHEMBL6584289 | 0.65 | — | — | |
| SCHEMBL11548643 | 0.61 | — | — | |
| SCHEMBL19559438 | 0.59 | SHBG (0.44) | — | |
| SCHEMBL20307111 | 0.59 | — | — | |
| SCHEMBL636900 | 0.59 | CPA1 (0.33) | — | |
| SCHEMBL11163512 | 0.59 | — | — | |
| SCHEMBL1026694 | 0.59 | — | — |
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-9624249-B2 | Nucleoside kinase bypass compositions and methods | MERCK SHARP & DOHME CORP. (US) | 2017-04-18 | — | — | US | disclosed |
| US-20150315221-A1 | NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS | MERCK SHARP & DOHME CORP. (US) | 2015-11-05 | — | — | US | disclosed |