⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8063370 | 0.93 | — | — | |
| SCHEMBL8063197 | 0.86 | F2 (0.32) | — | |
| SCHEMBL7723040 | 0.78 | CA2 (0.35) | — | |
| SCHEMBL8947843 | 0.75 | F2 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL8015453 | 0.74 | F2 (0.32) | — | |
| SCHEMBL10970078 | 0.73 | MMP1 (0.38) | — | |
| Phosphoric Acid SCHEMBL28387196 | 0.72 | CA2 (0.35) | — | |
| SCHEMBL7061153 | 0.69 | MMP1 (0.32) | — | |
| SCHEMBL8674420 | 0.69 | MMP1 (0.39) | — | |
| Lithium Ion SCHEMBL8016107 | 0.69 | CA2 (0.32) | — |
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-6039766-A | Cleaning process for dry cleaning | NICCA CHEMICAL CO., LTD. (JP) | 2000-03-21 | — | — | US | disclosed |