⚠ 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 SCHEMBL10792765 | 0.90 | — | — | |
| SCHEMBL11789899 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL14718282 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL6574509 | 0.71 | TSHR (0.40) | — | |
| Nitric Acid SCHEMBL7105994 | 0.69 | CA5A (0.44) | — | |
| SCHEMBL9157465 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL2349341 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL16726924 | 0.67 | ALDH1A1 (0.46) | — | |
| Ethylenediamine SCHEMBL9645942 | 0.66 | MEN1 (0.50) | — | |
| SCHEMBL11399674 | 0.65 | ALDH1A1 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100456398-C | Electrolyte for driving electrolytic capacitor and electrolytic capacitor | RUBYCON CORP (JP) | 2009-01-28 | — | — | CN | claimed |
| CN-1529892-A | Electrolyte for driving electrolytic capacitor and electrolytic capacitor | 如碧空株式会社 | 2004-09-15 | — | — | CN | claimed |
| CN-100456398-C | Electrolyte for driving electrolytic capacitor and electrolytic capacitor | RUBYCON CORP (JP) | 2009-01-28 | — | — | CN | disclosed |
| CN-1529892-A | Electrolyte for driving electrolytic capacitor and electrolytic capacitor | 如碧空株式会社 | 2004-09-15 | — | — | CN | disclosed |
| WO-2003104220-A1 | ASYMETRIC SYNTHESIS OF AMINO-PYRROLIDINONES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-18 | — | — | WO | disclosed |