⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1151644 | 0.72 | — | — | |
| SCHEMBL11719440 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6564157 | 0.70 | — | — | |
| SCHEMBL10084677 | 0.70 | — | — | |
| SCHEMBL4755294 | 0.65 | — | — | |
| SCHEMBL4431444 | 0.65 | — | — | |
| SCHEMBL1752334 | 0.65 | — | — | |
| SCHEMBL601001 | 0.65 | — | — | |
| SCHEMBL13617914 | 0.65 | — | — | |
| SCHEMBL23346847 | 0.63 | — | — |
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-5158684-A | Additing thermally stable chelant | BETZ LABORATORIES, INC. | 1992-10-27 | — | — | US | disclosed |