⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11825971 | 0.70 | — | — | |
| SCHEMBL28143633 | 0.69 | — | — | |
| SCHEMBL9622899 | 0.67 | — | — | |
| SCHEMBL10363981 | 0.64 | — | — | |
| Ethane SCHEMBL28151531 | 0.64 | MAPT (0.33) | — | |
| SCHEMBL28204678 | 0.63 | — | — | |
| SCHEMBL9408627 | 0.63 | — | — | |
| SCHEMBL10730493 | 0.60 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL11014793 | 0.60 | — | — | |
| SCHEMBL7514475 | 0.51 | — | — |
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-1087636-A | The tetrahydropyrimidine of Arthropodicidal | DU PONT (US) | 1994-06-08 | — | — | CN | disclosed |