⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL172291 | 1.00 | — | — | |
| Water SCHEMBL27276863 | 0.97 | TSHR (0.48) | — | |
| Hydrochloric Acid SCHEMBL11909043 | 0.97 | LMNA (0.52) | — | |
| Acetic Acid SCHEMBL28802118 | 0.89 | ACHE (0.46) | — | |
| Phosphoric Acid SCHEMBL30752048 | 0.87 | ACHE (0.44) | — | |
| Phosphoric Acid SCHEMBL28748125 | 0.85 | BBOX1 (0.41) | — | |
| SCHEMBL29011941 | 0.84 | ACE (0.48) | — | |
| SCHEMBL172269 | 0.82 | ACHE (0.64) | — | |
| Water SCHEMBL1717169 | 0.80 | ACHE (0.61) | — | |
| Iodide SCHEMBL22034716 | 0.80 | ACHE (0.61) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130178653-A1 | NOVEL PRECURSOR OF RADIOLABELLED CHOLINE ANALOG COMPOUNDS | IMPERIAL COLLEGE (GB) | 2013-07-11 | — | — | US | disclosed |