⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28291 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27391000 | 0.84 | — | — | |
| Acetaldehyde SCHEMBL3131789 | 0.77 | — | — | |
| Bicarbonate SCHEMBL5506997 | 0.71 | HDAC3 (0.50) | — | |
| Bicarbonate SCHEMBL8827978 | 0.69 | TSHR (0.60) | — | |
| Bicarbonate SCHEMBL27709297 | 0.69 | — | — | |
| Butane SCHEMBL705926 | 0.69 | — | — | |
| SCHEMBL3416736 | 0.69 | — | — | |
| SCHEMBL49198 | 0.69 | — | — | |
| SCHEMBL3416735 | 0.69 | — | — |
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-1537087-A | Process for preparing mono-or dicarbonyl or hydroxy compounds | DSM��ϸ��ѧ�µ���NFG���Ϲ�˾ | 2004-10-13 | — | — | CN | disclosed |