⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28305188 | 0.83 | — | — | |
| SCHEMBL27909225 | 0.81 | — | — | |
| SCHEMBL27911685 | 0.79 | — | — | |
| SCHEMBL27988971 | 0.79 | — | — | |
| SCHEMBL27421768 | 0.76 | — | — | |
| SCHEMBL27391202 | 0.73 | — | — | |
| SCHEMBL27459564 | 0.72 | — | — | |
| SCHEMBL27473060 | 0.71 | — | — | |
| SCHEMBL27390773 | 0.69 | — | — | |
| SCHEMBL27938865 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102971308-B | Non-nucleoside reverse transcriptase inhibitors | MERCK FROSST CANADA LTD | 2015-02-04 | — | — | CN | disclosed |
| CN-102971308-A | Non-nucleoside reverse transcriptase inhibitors | MERCK FROSST CANADA LTD | 2013-03-13 | — | — | CN | disclosed |