⚠ 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 SCHEMBL6363252 | 1.00 | — | — | |
| Nitrous Acid SCHEMBL17500973 | 1.00 | CA1 (0.86) | — | |
| Nitrous Acid SCHEMBL27753384 | 1.00 | — | — | |
| Nitrous Acid SCHEMBL5847460 | 1.00 | — | — | |
| Nitrous Acid SCHEMBL9078187 | 1.00 | CA1 (0.86) | — | |
| Nitrous Acid SCHEMBL11881960 | 1.00 | CA1 (0.86) | — | |
| Nitrous Acid SCHEMBL301419 | 1.00 | — | — | |
| Nitrous Acid SCHEMBL11219502 | 1.00 | — | — | |
| Nitrous Acid SCHEMBL11794262 | 1.00 | CA1 (0.86) | — | |
| Nitrous Acid SCHEMBL14058581 | 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-4338345-A | ALKALI METAL NITRITE AND HYPOPHOSPHOROUS ACID OR SALT | FMC CORPORATION (US) | 1982-07-06 | — | — | US | disclosed |