⚠ 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 SCHEMBL233359 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL266405 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL14876440 | 0.88 | CA1 (0.75) | — | |
| Nitrous Acid SCHEMBL1261227 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL29010595 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL23456534 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL2229847 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL18834685 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL550183 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL28362203 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005001020-A2 | A MULTI-STAGE OPEN ION SYSTEM IN VARIOUS TOPOLOGIES | AXIOMIC TECHNOLOGIES INC (US) | 2005-01-06 | — | — | WO | disclosed |