⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL28460805 | 0.96 | — | — | |
| Cysteamine SCHEMBL5502656 | 0.85 | — | — | |
| Cysteamine SCHEMBL1010057 | 0.85 | TSHR (0.61) | — | |
| Urea SCHEMBL9127375 | 0.79 | — | — | |
| Cysteamine SCHEMBL6377246 | 0.79 | — | — | |
| Acetic Acid SCHEMBL4032886 | 0.79 | — | — | |
| Thioglycolic Acid SCHEMBL7083512 | 0.79 | — | — | |
| Glycine SCHEMBL28461223 | 0.79 | — | — | |
| Acrylamide SCHEMBL2369357 | 0.78 | — | — | |
| Acrylamide SCHEMBL28520978 | 0.78 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| CN-106170302-B | Agent delivery promoter comprising substance for activating lysophospholipid receptor | 国立大学法人大阪大学 | 2020-11-06 | — | — | CN | disclosed |