⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28888460 | 0.98 | CNR2 (0.31) | — | |
| SCHEMBL25355514 | 0.85 | CA12 (0.32) | — | |
| SCHEMBL5800100 | 0.83 | — | — | |
| SCHEMBL518644 | 0.83 | TSHR (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL27715413 | 0.79 | CNR2 (0.34) | — | |
| SCHEMBL10836953 | 0.79 | CNR2 (0.45) | — | |
| SCHEMBL2449985 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL29214286 | 0.79 | — | — | |
| SCHEMBL5711856 | 0.79 | — | — | |
| SCHEMBL11875955 | 0.77 | CNR2 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1055721-C | Detergent composition for hard surface | KAO CORP (JP) | 2000-08-23 | — | — | CN | disclosed |
| CN-1115578-A | Detergent composition for hard surface | KAO CORP (JP) | 1996-01-24 | — | — | CN | disclosed |