⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3268601 | 0.81 | — | — | |
| SCHEMBL6259613 | 0.77 | — | — | |
| SCHEMBL15158954 | 0.77 | SMPD3 (0.33) | — | |
| SCHEMBL16276263 | 0.74 | ALOX5 (0.31) | — | |
| SCHEMBL23769005 | 0.71 | ALOX5 (0.38) | — | |
| SCHEMBL22815089 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL17258665 | 0.65 | — | — | |
| SCHEMBL10021906 | 0.64 | SMPD3 (0.48) | — | |
| SCHEMBL2282179 | 0.62 | — | — | |
| SCHEMBL14037700 | 0.62 | — | — |
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-9951065-B2 | Benzimidazole and imadazopyridine carboximidamide compounds | GILEAD SCIENCES, INC. (US) | 2018-04-24 | — | — | US | disclosed |