⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL139829 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL28181417 | 0.88 | — | — | |
| Alcohol SCHEMBL27865545 | 0.86 | — | — | |
| SCHEMBL6270857 | 0.84 | — | — | |
| SCHEMBL4729322 | 0.84 | — | — | |
| SCHEMBL9897823 | 0.80 | — | — | |
| SCHEMBL9898814 | 0.80 | — | — | |
| SCHEMBL10476453 | 0.79 | — | — | |
| SCHEMBL28962088 | 0.75 | — | — | |
| SCHEMBL27797598 | 0.74 | — | — |
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-5814226-A | Method of removing heavy metal ions from a liquid with chemically active ceramic compositions with a thiol and/or amine moiety | SYRACUSE UNIVERSITY (US) | 1998-09-29 | — | — | US | disclosed |