⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20094585 | 0.90 | PRKCA (0.31) | — | |
| SCHEMBL20094641 | 0.90 | SELP (0.30) | — | |
| SCHEMBL20094766 | 0.89 | — | — | |
| SCHEMBL19860786 | 0.88 | — | — | |
| SCHEMBL19860905 | 0.88 | — | — | |
| SCHEMBL19860841 | 0.88 | — | — | |
| SCHEMBL19841485 | 0.86 | MMP13 (0.33) | — | |
| SCHEMBL19841507 | 0.84 | MMP13 (0.33) | — | |
| SCHEMBL19841496 | 0.84 | — | — | |
| SCHEMBL20094629 | 0.83 | — | — |
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-20180110863-A1 | GLUCOSE-RESPONSIVE INSULIN CONJUGATES | MERCK SHARP & DOHME CORP. (US) | 2018-04-26 | — | — | US | disclosed |