⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18470597 | 0.93 | — | — | |
| SCHEMBL18470596 | 0.90 | — | — | |
| SCHEMBL15837344 | 0.89 | NT5E (0.34) | — | |
| SCHEMBL17357570 | 0.85 | NT5E (0.33) | — | |
| SCHEMBL15833153 | 0.85 | NT5E (0.33) | — | |
| SCHEMBL17357568 | 0.84 | NT5E (0.33) | — | |
| SCHEMBL15833151 | 0.84 | NT5E (0.33) | — | |
| SCHEMBL17357576 | 0.82 | NT5E (0.32) | — | |
| SCHEMBL15837354 | 0.82 | NT5E (0.32) | — | |
| SCHEMBL15837343 | 0.81 | NT5E (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170037077-A1 | SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF | Janssen Biopharma, Inc. | 2017-02-09 | — | — | US | disclosed |