⚠ 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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL78137 | 1.00 | — | — | |
| Nitrous Acid SCHEMBL11142292 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL16566649 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL715655 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL9063370 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL9063359 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL715658 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL11342810 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL3144387 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL896736 | 0.94 | — | — |
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-5427819-A | Corrosion inhibiting repair and rehabilitation treatment process for reinforced concrete structures | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) | 1995-06-27 | — | — | US | disclosed |