⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL258813 | 0.95 | — | — | |
| Iodide SCHEMBL9658039 | 0.95 | — | — | |
| SCHEMBL74565 | 0.73 | — | — | |
| SCHEMBL2172287 | 0.67 | — | — | |
| SCHEMBL4733062 | 0.67 | — | — | |
| SCHEMBL4733067 | 0.67 | — | — | |
| SCHEMBL62470 | 0.65 | — | — | |
| SCHEMBL9299024 | 0.65 | — | — | |
| Isopropyl Alcohol SCHEMBL9695534 | 0.64 | — | — | |
| Isopropyl Alcohol SCHEMBL9695851 | 0.64 | ALDH1A1 (0.50) | — |
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 |