⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16583473 | 0.96 | — | — | |
| SCHEMBL38702 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1027951 | 0.92 | — | — | |
| Acetone SCHEMBL8491952 | 0.92 | LMNA (0.50) | — | |
| SCHEMBL28059549 | 0.92 | — | — | |
| Iodide SCHEMBL23540725 | 0.92 | — | — | |
| Water SCHEMBL10942482 | 0.92 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL4948046 | 0.92 | ALDH1A1 (0.47) | — | |
| Bromide SCHEMBL9286855 | 0.92 | — | — | |
| Water SCHEMBL4748367 | 0.92 | — | — |
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-102658179-A | Preparation method of stannous chloride immobilized catalyst | UNIV DALIAN TECH | 2012-09-12 | — | — | CN | disclosed |