⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11590860 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7909258 | 0.76 | KDM4E (0.45) | — | |
| SCHEMBL25440344 | 0.73 | — | — | |
| SCHEMBL28321357 | 0.73 | KDM4E (0.52) | — | |
| SCHEMBL11606349 | 0.67 | ALDH1A1 (0.71) | — | |
| SCHEMBL13734677 | 0.64 | POLB (0.51) | — | |
| SCHEMBL11607431 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL10506251 | 0.63 | GAA (0.52) | — | |
| SCHEMBL11716370 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL14868792 | 0.62 | — | — |
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-20090206245-A1 | Mass analysis method using fine metal particles | SHIONOGI CO., LTD (JP) | 2009-08-20 | — | — | US | disclosed |