⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10042 | 0.91 | — | — | |
| Hydrogen Peroxide SCHEMBL730572 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11152120 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL31571132 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL31571135 | 0.83 | — | — | |
| Cyclohexane SCHEMBL23672247 | 0.80 | POLB (0.38) | — | |
| SCHEMBL9441791 | 0.80 | KDM4E (0.44) | — | |
| Urea SCHEMBL3711855 | 0.80 | LMNA (0.46) | — | |
| SCHEMBL1616629 | 0.77 | — | — | |
| SCHEMBL819369 | 0.77 | CA2 (0.39) | — |
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-107349753-A | Method for trapping nitric oxide by using eutectic solvent based on 1, 3-dimethylthiourea | 天津大学 | 2017-11-17 | — | — | CN | disclosed |