⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11360228 | 0.80 | — | — | |
| SCHEMBL6531416 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL10367671 | 0.77 | CES2 (0.45) | — | |
| SCHEMBL28660261 | 0.77 | CES2 (0.45) | — | |
| SCHEMBL14387752 | 0.75 | CES2 (0.43) | — | |
| SCHEMBL1180379 | 0.74 | — | — | |
| SCHEMBL13656481 | 0.74 | CES2 (0.56) | — | |
| SCHEMBL2789585 | 0.74 | CES2 (0.56) | — | |
| SCHEMBL14798032 | 0.74 | CES2 (0.47) | — | |
| SCHEMBL8241555 | 0.72 | — | — |
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-20050004225-A1 | Oxidoreductase inhibitors and methods of screening and using thereof | CITY OF HOPE | 2005-01-06 | — | — | US | disclosed |