⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11738317 | 0.98 | INMT (0.45) | — | |
| SCHEMBL2593743 | 0.79 | — | — | |
| SCHEMBL9350759 | 0.75 | — | — | |
| SCHEMBL7595086 | 0.70 | CYP3A4 (0.35) | — | |
| SCHEMBL7735363 | 0.68 | — | — | |
| SCHEMBL9711159 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL9711153 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL8673154 | 0.65 | INMT (0.50) | — | |
| SCHEMBL7803036 | 0.64 | CYP3A4 (0.35) | — | |
| Bromide SCHEMBL8674805 | 0.64 | INMT (0.48) | — |
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-4103017-A | INSECTICIDES, MITICIDES | SHELL OIL COMPANY (US) | 1978-07-25 | — | — | US | disclosed |