⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11862235 | 0.75 | — | — | |
| SCHEMBL11720320 | 0.75 | — | — | |
| SCHEMBL11877803 | 0.73 | — | — | |
| SCHEMBL11825971 | 0.53 | — | — | |
| Nitric Acid SCHEMBL29620695 | 0.51 | CA5A (0.36) | — | |
| Water SCHEMBL29255953 | 0.46 | — | — | |
| SCHEMBL31339221 | 0.45 | — | — | |
| SCHEMBL30270515 | 0.45 | MEN1 (0.67) | — | |
| SCHEMBL10906198 | 0.45 | — | — | |
| Water SCHEMBL27775866 | 0.45 | MEN1 (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 |
|---|---|---|---|---|---|---|---|
| US-3985736-A | INSECTICIDES | SHELL OIL COMPANY (US) | 1976-10-12 | — | — | US | disclosed |