⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7135442 | 0.71 | HTT (0.31) | — | |
| SCHEMBL7139092 | 0.68 | FFAR3 (0.32) | — | |
| SCHEMBL10950535 | 0.64 | — | — | |
| SCHEMBL10950531 | 0.64 | — | — | |
| SCHEMBL7127327 | 0.59 | — | — | |
| SCHEMBL9335610 | 0.59 | — | — | |
| SCHEMBL19911169 | 0.58 | CA12 (0.32) | — | |
| SCHEMBL15083869 | 0.57 | — | — | |
| Oxalic Acid SCHEMBL5874925 | 0.56 | CA12 (0.48) | — | |
| Oxalic Acid SCHEMBL5874919 | 0.56 | CA12 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1015419-B1 | POLYDENTATE IMINES AND THEIR METAL COMPLEXES | AMERSHAM PLC (GB) | 2003-01-02 | — | — | EP | disclosed |
| US-6153775-A | TRIPODAL LIGAND CHELATING AGENTS INCORPORATING IMINE BONDS AND WHICH FORM COMPLEXES THAT DO NOT HYDROLYZE IN WATER AT NEUTRAL PH; CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING/RADIOLOGY | NYCOMED AMERSHAM PLC. (GB) | 2000-11-28 | — | — | US | disclosed |