⚠ 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 SCHEMBL17633830 | 0.98 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL4825618 | 0.79 | — | — | |
| SCHEMBL3504447 | 0.79 | — | — | |
| SCHEMBL25468011 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10592298 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL10487218 | 0.72 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL7345124 | 0.70 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL1627445 | 0.70 | — | — | |
| SCHEMBL20664948 | 0.70 | KMT2A (0.44) | — | |
| SCHEMBL9567313 | 0.70 | ZDHHC7 (0.58) | — |
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-106687140-A | Use of cysteamine in treating infections caused by yeasts/moulds | 诺瓦生命科学有限公司 | 2017-05-17 | — | — | CN | disclosed |