⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28410378 | 0.80 | LMNA (0.31) | — | |
| Acetone SCHEMBL890603 | 0.78 | — | — | |
| Carbon Dioxide SCHEMBL18204556 | 0.76 | TSHR (0.43) | — | |
| Carbon Dioxide SCHEMBL16013760 | 0.76 | TSHR (0.43) | — | |
| Carbon Dioxide SCHEMBL149131 | 0.76 | — | — | |
| Carbon Dioxide SCHEMBL28470473 | 0.76 | — | — | |
| Carbon Dioxide SCHEMBL18204551 | 0.76 | TSHR (0.43) | — | |
| Carbon Dioxide SCHEMBL17002989 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL4816215 | 0.74 | — | — | |
| SCHEMBL3099496 | 0.74 | — | — |
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-1118165-A | Ortho-substituted 2-methoxyiminophenylacetic acid methylamides | BASF AG (DE) | 1996-03-06 | — | — | CN | disclosed |