⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11317 | 0.98 | — | — | |
| Bromide SCHEMBL27706206 | 0.96 | — | — | |
| Water SCHEMBL28393920 | 0.96 | ALOX15 (0.44) | — | |
| Water SCHEMBL28225800 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL29101117 | 0.96 | ALOX15 (0.44) | — | |
| Hydrogen Sulfide SCHEMBL28099402 | 0.96 | — | — | |
| SCHEMBL10484488 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL3806550 | 0.96 | — | — | |
| Bromide SCHEMBL29170666 | 0.96 | ALOX15 (0.44) | — | |
| Methane SCHEMBL27525308 | 0.96 | — | — |
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-101955552-B | Monosubstituted alkyl bond-connected amino and imidazolyl double-front point centre beta-cyclodextrin and preparation method thereof | UNIV NANJING SCIENCE & TECH | 2013-01-23 | — | — | CN | claimed |
| CN-101955552-A | Monosubstituted alkyl bond-connected amino and imidazolyl double-front point centre beta-cyclodextrin and preparation method thereof | UNIV NANJING SCIENCE & TECH | 2011-01-26 | — | — | CN | claimed |
| CN-101955552-B | Monosubstituted alkyl bond-connected amino and imidazolyl double-front point centre beta-cyclodextrin and preparation method thereof | UNIV NANJING SCIENCE & TECH | 2013-01-23 | — | — | CN | disclosed |
| CN-101955552-A | Monosubstituted alkyl bond-connected amino and imidazolyl double-front point centre beta-cyclodextrin and preparation method thereof | UNIV NANJING SCIENCE & TECH | 2011-01-26 | — | — | CN | disclosed |
| US-5759357-A | Process for the recovery of a strong acid from an aqueous solution | HALDOR TOPSOE A/S (DK) | 1998-06-02 | — | — | US | disclosed |