⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11550809 | 1.00 | — | — | |
| SCHEMBL11553476 | 0.95 | — | — | |
| SCHEMBL11553472 | 0.95 | — | — | |
| SCHEMBL11555160 | 0.87 | SQLE (0.31) | — | |
| SCHEMBL11555154 | 0.87 | SQLE (0.31) | — | |
| SCHEMBL11708647 | 0.87 | — | — | |
| SCHEMBL11708643 | 0.87 | — | — | |
| SCHEMBL11549306 | 0.85 | PTPN1 (0.41) | — | |
| SCHEMBL10639261 | 0.85 | — | — | |
| SCHEMBL11549303 | 0.85 | PTPN1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4137273-A | INSECTICIDES, CHEMICAL INTERMEDIATES | ZOECON CORPORATION (US) | 1979-01-30 | — | — | US | disclosed |