⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5488415 | 1.00 | — | — | |
| SCHEMBL28661773 | 0.98 | — | — | |
| SCHEMBL9387950 | 0.88 | — | — | |
| SCHEMBL9854945 | 0.80 | CA12 (0.31) | — | |
| SCHEMBL917799 | 0.79 | PDE4A (0.43) | — | |
| SCHEMBL10699931 | 0.78 | — | — | |
| SCHEMBL28834716 | 0.77 | PGD (0.39) | — | |
| SCHEMBL27350710 | 0.77 | PGD (0.39) | — | |
| SCHEMBL4939206 | 0.76 | PDE4A (0.44) | — | |
| SCHEMBL6400897 | 0.76 | PDE4A (0.44) | — |
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-105805426-B | Pipeline runs through device | 上海火克新材料有限公司 | 2017-10-27 | — | — | CN | disclosed |