⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9658048 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL258814 | 0.95 | — | — | |
| Sulfuric Acid SCHEMBL2150481 | 0.82 | CA5A (0.40) | — | |
| SCHEMBL2172287 | 0.67 | — | — | |
| SCHEMBL8819658 | 0.67 | — | — | |
| SCHEMBL3368225 | 0.67 | — | — | |
| SCHEMBL8374487 | 0.65 | — | — | |
| Water SCHEMBL2818905 | 0.64 | — | — | |
| Fluoride SCHEMBL4617068 | 0.64 | — | — | |
| Bromide SCHEMBL5153666 | 0.64 | — | — |
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-20090172890-A1 | Method for Producing Leather | BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) | 2009-07-09 | — | — | US | disclosed |