⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19153766 | 0.77 | PDPK1 (0.30) | — | |
| SCHEMBL12361762 | 0.67 | HCAR2 (0.48) | — | |
| SCHEMBL12094375 | 0.67 | — | — | |
| SCHEMBL20674140 | 0.66 | TSHR (0.50) | — | |
| SCHEMBL19153868 | 0.63 | — | — | |
| SCHEMBL19153783 | 0.63 | HAVCR2 (0.33) | — | |
| SCHEMBL16124086 | 0.63 | HTR7 (0.41) | — | |
| SCHEMBL17232727 | 0.60 | CYP2C19 (0.55) | — | |
| SCHEMBL22212073 | 0.59 | HCAR2 (0.32) | — | |
| SCHEMBL19154101 | 0.59 | HAVCR2 (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-20170202970-A1 | SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME | BLINKBIO, INC. | 2017-07-20 | — | — | US | disclosed |