⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28204678 | 0.92 | — | — | |
| Ethane SCHEMBL28151531 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL27416007 | 0.70 | — | — | |
| SCHEMBL725285 | 0.54 | — | — | |
| SCHEMBL651428 | 0.51 | MEN1 (0.75) | — | |
| SCHEMBL5957000 | 0.49 | — | — | |
| SCHEMBL78645 | 0.49 | — | — | |
| SCHEMBL2557496 | 0.49 | — | — | |
| SCHEMBL2701677 | 0.49 | — | — | |
| Water SCHEMBL25211058 | 0.47 | — | — |
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-3971774-A | INSECTICIDE | SHELL OIL COMPANY (US) | 1976-07-27 | — | — | US | disclosed |