⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11675914 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL11676366 | 0.81 | — | — | |
| SCHEMBL11675235 | 0.80 | EPHX1 (0.32) | — | |
| SCHEMBL11674418 | 0.80 | EPHX1 (0.32) | — | |
| SCHEMBL11675543 | 0.78 | — | — | |
| SCHEMBL11676695 | 0.76 | — | — | |
| SCHEMBL11673803 | 0.76 | — | — | |
| SCHEMBL11675655 | 0.74 | — | — | |
| SCHEMBL11676195 | 0.74 | — | — | |
| SCHEMBL11674638 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4017529-A | Herbicidal allophanimidates | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-04-12 | — | — | US | claimed |
| US-4017529-A | Herbicidal allophanimidates | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-04-12 | — | — | US | disclosed |