⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12517978 | 0.82 | — | — | |
| SCHEMBL10403535 | 0.78 | — | — | |
| SCHEMBL669943 | 0.78 | — | — | |
| SCHEMBL1374762 | 0.72 | — | — | |
| SCHEMBL3679867 | 0.69 | — | — | |
| SCHEMBL1270987 | 0.68 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL10564448 | 0.68 | — | — | |
| SCHEMBL343264 | 0.68 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL1436799 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11621824 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001056358-A2 | ENHANCED PROPERTIED PESTICIDES | ROHM AND HAAS COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |