⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL27615480 | 1.00 | CA1 (0.55) | — | |
| Ethylene Glycol SCHEMBL4725588 | 0.95 | — | — | |
| Nitrous Acid SCHEMBL27258959 | 0.80 | — | — | |
| Nitrous Acid SCHEMBL7029964 | 0.80 | — | — | |
| Monoethanolamine SCHEMBL1832614 | 0.75 | — | — | |
| Propanol SCHEMBL29262539 | 0.75 | — | — | |
| Nitrous Acid SCHEMBL10882870 | 0.75 | — | — | |
| Nitrous Acid SCHEMBL27594076 | 0.75 | CA1 (0.75) | — | |
| Nitrous Acid SCHEMBL1057 | 0.74 | — | — | |
| Ethylene Glycol SCHEMBL1492000 | 0.74 | TSHR (0.83) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100433408-C | Sealed rectangular battery | HITACHI MAXELL (JP) | 2008-11-12 | — | — | CN | disclosed |
| CN-1604357-A | Sealed rectangular battery | HITACHI MAXELL (JP) | 2005-04-06 | — | — | CN | disclosed |