⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12746354 | 0.76 | — | — | |
| SCHEMBL2995965 | 0.72 | TP53 (0.32) | — | |
| SCHEMBL18558749 | 0.70 | — | — | |
| SCHEMBL31692720 | 0.65 | — | — | |
| SCHEMBL12137975 | 0.65 | — | — | |
| SCHEMBL2984499 | 0.64 | — | — | |
| SCHEMBL2403456 | 0.63 | — | — | |
| SCHEMBL14676021 | 0.63 | — | — | |
| SCHEMBL11199501 | 0.63 | — | — | |
| SCHEMBL12300185 | 0.61 | — | — |
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-9579332-B2 | Phosphonate analogs of HIV inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2017-02-28 | — | — | US | disclosed |