⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19860786 | 1.00 | — | — | |
| SCHEMBL16628216 | 0.92 | PRKCA (0.33) | — | |
| SCHEMBL16628154 | 0.92 | PRKCA (0.33) | — | |
| SCHEMBL16628295 | 0.92 | PRKCA (0.33) | — | |
| SCHEMBL19860867 | 0.89 | LGALS8 (0.33) | — | |
| SCHEMBL19860855 | 0.89 | LGALS8 (0.33) | — | |
| SCHEMBL20094642 | 0.88 | — | — | |
| SCHEMBL19860890 | 0.85 | ACHE (0.33) | — | |
| SCHEMBL16628215 | 0.85 | ACHE (0.33) | — | |
| SCHEMBL19860840 | 0.85 | ACHE (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 |
|---|---|---|---|---|---|---|---|
| US-9889205-B2 | Glucose-responsive insulin conjugates | MERCK SHARP & DOHME CORP. (US) | 2018-02-13 | — | — | US | disclosed |