⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28610600 | 0.71 | — | — | |
| SCHEMBL28913757 | 0.71 | — | — | |
| Water SCHEMBL28051651 | 0.70 | — | — | |
| Sulfuric Acid SCHEMBL28982253 | 0.70 | MEN1 (0.35) | — | |
| Sulfuric Acid SCHEMBL28090636 | 0.67 | TP53 (0.33) | — | |
| SCHEMBL4603959 | 0.67 | MEN1 (0.32) | — | |
| SCHEMBL18222450 | 0.67 | — | — | |
| SCHEMBL8910201 | 0.64 | BBOX1 (0.30) | — | |
| Sulfuric Acid SCHEMBL27499253 | 0.64 | TP53 (0.31) | — | |
| SCHEMBL11244308 | 0.64 | PSMD14 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105637093-A | Transduction buffer | KONINKLIJKE NEDERLANDSE AKADEMIE VAN WETENSCHAPPEN | 2016-06-01 | — | — | CN | disclosed |