⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6965028 | 0.97 | — | — | |
| SCHEMBL28638172 | 0.97 | NOS3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL11623064 | 0.93 | — | — | |
| Water SCHEMBL28114483 | 0.90 | NOS3 (0.35) | — | |
| SCHEMBL3080474 | 0.72 | NOS3 (0.40) | — | |
| SCHEMBL10200205 | 0.69 | — | — | |
| SCHEMBL11171912 | 0.69 | — | — | |
| SCHEMBL27278465 | 0.67 | — | — | |
| SCHEMBL11616846 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL12835044 | 0.67 | — | — |
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-113754645-A | Viologen derivatives based on tetrathiafulvalene, preparation method thereof and application thereof in flow battery system | 西安交通大学 | 2021-12-07 | — | — | CN | disclosed |