⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL167239 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL4025651 | 0.86 | — | — | |
| Nitrous Acid SCHEMBL5674275 | 0.76 | — | — | |
| SCHEMBL15811753 | 0.72 | — | — | |
| Ethylene Glycol SCHEMBL3874520 | 0.68 | — | — | |
| Nitrous Acid SCHEMBL624195 | 0.57 | CA1 (0.86) | — | |
| Ammonia Solution, Strong SCHEMBL9694359 | 0.57 | — | — | |
| Nitrous Acid SCHEMBL27812938 | 0.57 | — | — | |
| Ammonia Solution, Strong SCHEMBL3628594 | 0.57 | — | — | |
| Nitrous Acid SCHEMBL27647408 | 0.57 | — | — |
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-20180164240-A1 | SENSOR FOR DETECTION OF ANALYTES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2018-06-14 | — | — | US | disclosed |