⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14640960 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL5466665 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL18638847 | 0.67 | — | — | |
| SCHEMBL3710473 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL24425432 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL367411 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL7782344 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL24425431 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL14721636 | 0.65 | — | — | |
| SCHEMBL20412646 | 0.65 | ALDH1A1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0794801-A1 | PARAMAGNETIC COMPLEXES OF N-ALKYL-N-HYDROXYLAMIDES OF ORGANIC ACIDS AND EMULSIONS CONTAINING SAME FOR MAGNETIC RESONANCE IMAGING (MRI) | HEMAGEN/PFC (US) | 1997-09-17 | — | — | EP | disclosed |
| WO-1996016679-A1 | PARAMAGNETIC COMPLEXES OF N-ALKYL-N-HYDROXYLAMIDES OF ORGANIC ACIDS AND EMULSIONS CONTAINING SAME FOR MAGNETIC RESONANCE IMAGING (MRI) | HEMAGEN/PFC (US) | 1996-06-06 | — | — | WO | disclosed |
| WO-1995033494-A1 | EMULSIONS OF PARAMAGNETIC CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING (MRI), CONTAINING AN ORGANIC CHELATOR HAVING AN UNSATURATED ALIPHATIC GROUP | HEMAGEN/PFC (US) | 1995-12-14 | — | — | WO | disclosed |
| WO-1995028146-A1 | FLUOROCHEMICAL EMULSIONS CONTAINING 1,3-DIALKYLGLYCEROPHOSPHORYL CHOLINE SURFACTANTS AND METHODS OF USE | HEMAGEN/PFC (US) | 1995-10-26 | — | — | WO | disclosed |
| WO-1994014415-A1 | FLUOROCARBON EMULSIONS | HEMAGEN/PFC (US) | 1994-07-07 | — | — | WO | disclosed |
| EP-0089815-A1 | Liquid perfluorocarbons, for use in ocular therapy, and preparations containing them | Haidt, Sterling Joel (US) | 1983-09-28 | — | — | EP | disclosed |