⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9632778 | 0.77 | — | — | |
| SCHEMBL9631101 | 0.74 | CYP2C19 (0.35) | — | |
| SCHEMBL9511236 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL8950779 | 0.59 | GABRP (0.40) | — | |
| SCHEMBL9632766 | 0.59 | ALDH1A1 (0.30) | — | |
| SCHEMBL8950618 | 0.59 | — | — | |
| SCHEMBL9511280 | 0.59 | ALDH1A1 (0.30) | — | |
| SCHEMBL8950567 | 0.59 | — | — | |
| SCHEMBL9631409 | 0.57 | — | — | |
| SCHEMBL8950630 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0372817-B1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1992-05-13 | — | — | EP | disclosed |
| US-4985411-A | Insecticides, Acaricides | THE WELLCOME FOUNDATION LTD. (GB) | 1991-01-15 | — | — | US | disclosed |