⚠ 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 SCHEMBL624195 | 0.94 | CA1 (0.86) | — | |
| Nitrous Acid SCHEMBL93315 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL27647408 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL11883017 | 0.94 | CA1 (0.86) | — | |
| Nitrous Acid SCHEMBL6241289 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL1924350 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL27812938 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL28383116 | 0.94 | — | — | |
| Nitrous Acid SCHEMBL6359012 | 0.88 | — | — | |
| Nitrous Acid SCHEMBL3192532 | 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 |
|---|---|---|---|---|---|---|---|
| US-4053524-A | HYDROGENATING PHENOL IN THE PRESENCE OF A CHROMIUM OXIDE SUPPORTED RUTHENIUM CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1977-10-11 | — | — | US | disclosed |