⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24339450 | 0.75 | — | — | |
| SCHEMBL24339003 | 0.67 | — | — | |
| SCHEMBL19495145 | 0.67 | — | — | |
| SCHEMBL19650379 | 0.65 | — | — | |
| SCHEMBL23653974 | 0.64 | — | — | |
| SCHEMBL5147224 | 0.61 | — | — | |
| SCHEMBL31648487 | 0.60 | — | — | |
| SCHEMBL14215578 | 0.60 | — | — | |
| SCHEMBL28100634 | 0.59 | — | — | |
| SCHEMBL18771851 | 0.59 | NOS3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3507276-B1 | TOLL LIKE RECEPTOR MODULATOR COMPOUNDS | GILEAD SCIENCES INC (US) | 2021-11-03 | — | — | EP | disclosed |