⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13969783 | 1.00 | — | — | |
| SCHEMBL5079309 | 0.73 | — | — | |
| SCHEMBL2729286 | 0.72 | — | — | |
| SCHEMBL10717705 | 0.72 | — | — | |
| SCHEMBL7556136 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL545851 | 0.72 | — | — | |
| SCHEMBL1071655 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL9750880 | 0.72 | — | — | |
| SCHEMBL8836600 | 0.71 | — | — | |
| SCHEMBL7776712 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109906210-A | Additive for architectural chemistry composition | 巴斯夫欧洲公司 | 2019-06-18 | — | — | CN | disclosed |